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Also known as: 5368-23-0, Nsc70394, Starbld0019152, Schembl6068444, Dtxsid80290684, Juwzykunwptanz-uhfffaoysa-n
Molecular Formula
C17H18N2O
Molecular Weight
266.34  g/mol
InChI Key
JUWZYKUNWPTANZ-UHFFFAOYSA-N

CAS	5368-23-0
1 2D Structure

CAS	5368-23-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-benzyl-3-phenylpiperazin-2-one
2.1.2 InChI
InChI=1S/C17H18N2O/c20-17-16(15-9-5-2-6-10-15)19(12-11-18-17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,18,20)
2.1.3 InChI Key
JUWZYKUNWPTANZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(C(C(=O)N1)C2=CC=CC=C2)CC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5368-23-0

2. Nsc70394

3. Starbld0019152

4. Schembl6068444

5. Dtxsid80290684

6. Juwzykunwptanz-uhfffaoysa-n

7. 4-benzyl-2-oxo-3-phenylpiperazine

8. Nsc-70394

9. 2-piperazinone, 3-phenyl-4-(phenylmethyl)-

10. Cs-0162919

11. D85588

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 266.34 g/mol
Molecular Formula C17H18N2O
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area32.3
Heavy Atom Count20
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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