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Also known as: 654084-41-0, 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamide;hydrochloride, Schembl726793, Dtxsid80735767, Mfcd23135408, 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamidehydrochloride
Molecular Formula
C14H21Cl2N3O2
Molecular Weight
334.2  g/mol
InChI Key
AGVUBESCBQMUAO-UHFFFAOYSA-N

CAS 654084-41-0
1 2D Structure

CAS 654084-41-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-5-chloro-2-methoxy-N-(piperidin-4-ylmethyl)benzamide;hydrochloride
2.1.2 InChI
InChI=1S/C14H20ClN3O2.ClH/c1-20-13-7-12(16)11(15)6-10(13)14(19)18-8-9-2-4-17-5-3-9;/h6-7,9,17H,2-5,8,16H2,1H3,(H,18,19);1H
2.1.3 InChI Key
AGVUBESCBQMUAO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=C(C=C1C(=O)NCC2CCNCC2)Cl)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 654084-41-0

2. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamide;hydrochloride

3. Schembl726793

4. Dtxsid80735767

5. Mfcd23135408

6. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamidehydrochloride

7. Akos016004342

8. Ds-3741

9. Cs-0150646

10. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)-benzamide Hydrochloride

11. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamide Hcl

12. 4-amino-5-chloro-2-methoxy-n-[(piperidin-4-yl)methyl]benzamide--hydrogen Chloride (1/1)

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 334.2 g/mol
Molecular Formula C14H21Cl2N3O2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass333.1010823 g/mol
Monoisotopic Mass333.1010823 g/mol
Topological Polar Surface Area76.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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