4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide

C24H31N3O — CID 108914590

IUPAC4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)C
InChIInChI=1S/C24H31N3O/c1-19(2)20(3)18-25-24(28)27-16-14-26(15-17-27)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18-19,23H,14-17H2,1-3H3,(H,25,28)/b20-18+
InChIKeyQDFPTNIOOOAUOO-CZIZESTLSA-N
MW377.53 g/mol
LogP4.66
Rot. Bonds5

About 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide

4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide (PubChem CID 108914590) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide
PubChem CID108914590
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)C
InChIInChI=1S/C24H31N3O/c1-19(2)20(3)18-25-24(28)27-16-14-26(15-17-27)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18-19,23H,14-17H2,1-3H3,(H,25,28)/b20-18+
InChIKeyQDFPTNIOOOAUOO-CZIZESTLSA-N
XLogP4.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]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-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
N-(4-benzhydrylpiperazine-1-carbothioyl)-2-methylpropanamide
CID 4945739
4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide
CID 167594860
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 86912557
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504777
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide (CID 108914590) is 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide is C/C(=C\NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)C.
What is the InChIKey of 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide?
The InChIKey is QDFPTNIOOOAUOO-CZIZESTLSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19(2)20(3)18-25-24(28)27-16-14-26(15-17-27)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18-19,23H,14-17H2,1-3H3,(H,25,28)/b20-18+.
What are the key properties of 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide?
4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 108914590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).