4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide

C20H29N3O2 — CID 42928323

IUPAC4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NC3CCCCC3C)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-15-5-3-4-6-19(15)21-20(25)23-13-11-22(12-14-23)18-9-7-17(8-10-18)16(2)24/h7-10,15,19H,3-6,11-14H2,1-2H3,(H,21,25)
InChIKeyOTCLEEBNNKQNPB-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.30
Rot. Bonds3

About 4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide

4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide (PubChem CID 42928323) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
PubChem CID42928323
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NC3CCCCC3C)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-15-5-3-4-6-19(15)21-20(25)23-13-11-22(12-14-23)18-9-7-17(8-10-18)16(2)24/h7-10,15,19H,3-6,11-14H2,1-2H3,(H,21,25)
InChIKeyOTCLEEBNNKQNPB-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11930166
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
CID 113104537
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
N-(2-methylcyclopentyl)morpholine-4-carboxamide
CID 115613523
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11930167
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone
CID 112770227
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
tert-butyl 4-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 51476594

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide (CID 42928323) is 4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)NC3CCCCC3C)CC2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
The InChIKey is OTCLEEBNNKQNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-5-3-4-6-19(15)21-20(25)23-13-11-22(12-14-23)18-9-7-17(8-10-18)16(2)24/h7-10,15,19H,3-6,11-14H2,1-2H3,(H,21,25).
What are the key properties of 4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 42928323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).