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Chemistry

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Also known as: 61085-87-8, Norcarfentanil (hydrochloride), Methyl 4-(phenyl-propionyl-amino)-piperidine-4-carboxylate hcl, Methyl 4-(n-propanoylanilino)piperidine-4-carboxylate;hydrochloride, Schembl11523241, Mfcd00506656
Molecular Formula
C16H23ClN2O3
Molecular Weight
326.82  g/mol
InChI Key
OHAKVFPGXHKSME-UHFFFAOYSA-N

CAS 61085-87-8
1 2D Structure

CAS 61085-87-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-(N-propanoylanilino)piperidine-4-carboxylate;hydrochloride
2.1.2 InChI
InChI=1S/C16H22N2O3.ClH/c1-3-14(19)18(13-7-5-4-6-8-13)16(15(20)21-2)9-11-17-12-10-16;/h4-8,17H,3,9-12H2,1-2H3;1H
2.1.3 InChI Key
OHAKVFPGXHKSME-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCNCC2)C(=O)OC.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 61085-87-8

2. Norcarfentanil (hydrochloride)

3. Methyl 4-(phenyl-propionyl-amino)-piperidine-4-carboxylate Hcl

4. Methyl 4-(n-propanoylanilino)piperidine-4-carboxylate;hydrochloride

5. Schembl11523241

6. Mfcd00506656

7. Db-050219

8. Ft-0715761

9. Methyl 4-(phenyl-propionyl-amino)-piperidine-4-carboxylate Hydrochloride

10. 4-(phenyl-propionyl-amino)-piperidine-4-carboxylic Acid Methyl Ester Hydrochloride

11. Methyl 4-[n-(1-oxopropyl)n-phenylamino]-4-piperidinecarboxylate Hydrochloride

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 326.82 g/mol
Molecular Formula C16H23ClN2O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass326.1397203 g/mol
Monoisotopic Mass326.1397203 g/mol
Topological Polar Surface Area58.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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