N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide

C31H31N3O — CID 141188313

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide
SMILESCc1c(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cccc1-c1ccccc1
InChIInChI=1S/C31H31N3O/c1-24-29(26-11-6-3-7-12-26)13-8-14-30(24)31(35)32-27-15-17-28(18-16-27)34-21-19-33(20-22-34)23-25-9-4-2-5-10-25/h2-18H,19-23H2,1H3,(H,32,35)
InChIKeyRALDOEITXUNZCZ-UHFFFAOYSA-N
MW461.61 g/mol
LogP6.24
Rot. Bonds6

About N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide (PubChem CID 141188313) has the molecular formula C31H31N3O and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide
PubChem CID141188313
Molecular FormulaC31H31N3O
Molecular Weight461.61 g/mol
Exact Mass461.25
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide
SMILESCc1c(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cccc1-c1ccccc1
InChIInChI=1S/C31H31N3O/c1-24-29(26-11-6-3-7-12-26)13-8-14-30(24)31(35)32-27-15-17-28(18-16-27)34-21-19-33(20-22-34)23-25-9-4-2-5-10-25/h2-18H,19-23H2,1H3,(H,32,35)
InChIKeyRALDOEITXUNZCZ-UHFFFAOYSA-N
XLogP6.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide 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

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 2945842
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-phenyl-5-(trifluoromethyl)benzamide
CID 160823841
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 42313354
N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 91268853
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 17336206
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-2-methoxybenzamide
CID 4500692
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 1394950
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloro-6-fluorobenzamide
CID 37251039
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 35709469
2-[[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 26579098
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 42311026
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4-diethoxybenzamide
CID 42313246

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide (CID 141188313) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide is Cc1c(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cccc1-c1ccccc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide?
The InChIKey is RALDOEITXUNZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O/c1-24-29(26-11-6-3-7-12-26)13-8-14-30(24)31(35)32-27-15-17-28(18-16-27)34-21-19-33(20-22-34)23-25-9-4-2-5-10-25/h2-18H,19-23H2,1H3,(H,32,35).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide has a molecular weight of 461.61 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide is sourced from PubChem (CID 141188313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).