4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide

C25H26ClN3O2 — CID 2956120

IUPAC4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H26ClN3O2/c1-31-23-13-12-21(26)18-22(23)27-25(30)29-16-14-28(15-17-29)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3,(H,27,30)
InChIKeyYPEKZROJRZEEHW-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.29
Rot. Bonds5

About 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide

4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 2956120) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID2956120
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H26ClN3O2/c1-31-23-13-12-21(26)18-22(23)27-25(30)29-16-14-28(15-17-29)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3,(H,27,30)
InChIKeyYPEKZROJRZEEHW-UHFFFAOYSA-N
XLogP5.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 4984483
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 17183829
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
CID 92768972
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide
CID 166245286
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768345

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide (CID 2956120) is 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is YPEKZROJRZEEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-31-23-13-12-21(26)18-22(23)27-25(30)29-16-14-28(15-17-29)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3,(H,27,30).
What are the key properties of 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2956120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).