4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide

C24H25N3O — CID 44527477

IUPAC4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide
SMILESCc1ccccc1N1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C24H25N3O/c1-19-7-5-6-10-23(19)27-17-15-26(16-18-27)22-13-11-20(12-14-22)24(28)25-21-8-3-2-4-9-21/h2-14H,15-18H2,1H3,(H,25,28)
InChIKeyAAPVFDRXEALVPS-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.57
Rot. Bonds4

About 4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide

4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide (PubChem CID 44527477) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide
PubChem CID44527477
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide
SMILESCc1ccccc1N1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C24H25N3O/c1-19-7-5-6-10-23(19)27-17-15-26(16-18-27)22-13-11-20(12-14-22)24(28)25-21-8-3-2-4-9-21/h2-14H,15-18H2,1H3,(H,25,28)
InChIKeyAAPVFDRXEALVPS-UHFFFAOYSA-N
XLogP4.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071
(1S,6R)-6-[[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981703
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055949
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide?
The IUPAC name of 4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide (CID 44527477) is 4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide?
The canonical SMILES for 4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide is Cc1ccccc1N1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide?
The InChIKey is AAPVFDRXEALVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-19-7-5-6-10-23(19)27-17-15-26(16-18-27)22-13-11-20(12-14-22)24(28)25-21-8-3-2-4-9-21/h2-14H,15-18H2,1H3,(H,25,28).
What are the key properties of 4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide?
4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide has a molecular weight of 371.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide is sourced from PubChem (CID 44527477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).