4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide

C20H28N4O3 — CID 110812233

IUPAC4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H28N4O3/c1-15(25)21-18-9-7-16(8-10-18)19(26)23-11-13-24(14-12-23)20(27)22-17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,21,25)(H,22,27)
InChIKeyLDUYUXZMJLPJQT-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.45
Rot. Bonds3

About 4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide

4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 110812233) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
PubChem CID110812233
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H28N4O3/c1-15(25)21-18-9-7-16(8-10-18)19(26)23-11-13-24(14-12-23)20(27)22-17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,21,25)(H,22,27)
InChIKeyLDUYUXZMJLPJQT-UHFFFAOYSA-N
XLogP2.45
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide
CID 55651049
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea
CID 47510342
4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 55558062
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813431
2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid
CID 136552724
4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813341
N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109044727
N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822989

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide (CID 110812233) is 4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide is CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of 4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is LDUYUXZMJLPJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15(25)21-18-9-7-16(8-10-18)19(26)23-11-13-24(14-12-23)20(27)22-17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,21,25)(H,22,27).
What are the key properties of 4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide?
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 110812233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).