4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide

C24H31N3O — CID 1358608

IUPAC4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O/c28-24(25-22-14-8-3-9-15-22)27-18-16-26(17-19-27)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2,(H,25,28)
InChIKeyIRRGBCHOFRYUCB-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.44
Rot. Bonds4

About 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide

4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 1358608) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
PubChem CID1358608
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O/c28-24(25-22-14-8-3-9-15-22)27-18-16-26(17-19-27)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2,(H,25,28)
InChIKeyIRRGBCHOFRYUCB-UHFFFAOYSA-N
XLogP4.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-benzhydryl-N-cyclohexylpiperazine-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

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide (CID 1358608) is 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is IRRGBCHOFRYUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c28-24(25-22-14-8-3-9-15-22)27-18-16-26(17-19-27)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2,(H,25,28).
What are the key properties of 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide?
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 1358608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).