4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide

C20H27N3O3 — CID 109147706

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C20H27N3O3/c1-15(24)22-11-13-23(14-12-22)20(26)17-9-7-16(8-10-17)19(25)21-18-5-3-2-4-6-18/h2-6,16-17H,7-14H2,1H3,(H,21,25)
InChIKeyVAVCLGRZTNKKJX-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.12
Rot. Bonds3

About 4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide (PubChem CID 109147706) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
PubChem CID109147706
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C20H27N3O3/c1-15(24)22-11-13-23(14-12-22)20(26)17-9-7-16(8-10-17)19(25)21-18-5-3-2-4-6-18/h2-6,16-17H,7-14H2,1H3,(H,21,25)
InChIKeyVAVCLGRZTNKKJX-UHFFFAOYSA-N
XLogP2.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
CID 109147720
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide
CID 109147743
1-(3-aminocyclopentanecarbonyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119692604
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide (CID 109147706) is 4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide is CC(=O)N1CCN(C(=O)C2CCC(C(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide?
The InChIKey is VAVCLGRZTNKKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15(24)22-11-13-23(14-12-22)20(26)17-9-7-16(8-10-17)19(25)21-18-5-3-2-4-6-18/h2-6,16-17H,7-14H2,1H3,(H,21,25).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 109147706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).