4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide

C24H24ClN3O — CID 92767755

IUPAC4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H24ClN3O/c25-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)27-15-17-28(18-16-27)24(29)26-22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,26,29)/t23-/m0/s1
InChIKeyYUJHCLATNJIPQZ-QHCPKHFHSA-N
MW405.93 g/mol
LogP5.28
Rot. Bonds4

About 4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide

4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 92767755) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is 4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
PubChem CID92767755
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H24ClN3O/c25-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)27-15-17-28(18-16-27)24(29)26-22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,26,29)/t23-/m0/s1
InChIKeyYUJHCLATNJIPQZ-QHCPKHFHSA-N
XLogP5.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
CID 46100821
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92767870
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
CID 92768972
4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide
CID 46100874
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloroanilino)ethanone
CID 23649221
4-[(4-chlorophenyl)-phenylmethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 46100839
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 92769484
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705343

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide (CID 92767755) is 4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is YUJHCLATNJIPQZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24ClN3O/c25-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)27-15-17-28(18-16-27)24(29)26-22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,26,29)/t23-/m0/s1.
What are the key properties of 4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide?
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 405.93 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 92767755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).