4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide

C21H24N4O3 — CID 110365652

IUPAC4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C21H24N4O3/c1-16(26)23-19-9-5-8-18(14-19)20(27)24-10-12-25(13-11-24)21(28)22-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,22,28)(H,23,26)
InChIKeyXFCNITBSOXJBGI-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.31
Rot. Bonds4

About 4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide

4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide (PubChem CID 110365652) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
PubChem CID110365652
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C21H24N4O3/c1-16(26)23-19-9-5-8-18(14-19)20(27)24-10-12-25(13-11-24)21(28)22-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,22,28)(H,23,26)
InChIKeyXFCNITBSOXJBGI-UHFFFAOYSA-N
XLogP2.31
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-acetamidobenzoyl)-N-benzylpiperazine-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

N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
4-(3-acetamidophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107155
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 9467071
N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
CID 51043444

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide (CID 110365652) is 4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide is CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1.
What is the InChIKey of 4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide?
The InChIKey is XFCNITBSOXJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-16(26)23-19-9-5-8-18(14-19)20(27)24-10-12-25(13-11-24)21(28)22-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,22,28)(H,23,26).
What are the key properties of 4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide?
4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide is sourced from PubChem (CID 110365652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).