4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide

C22H31N3O3 — CID 109147715

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)CC1
InChIInChI=1S/C22H31N3O3/c1-15-4-9-20(14-16(15)2)23-21(27)18-5-7-19(8-6-18)22(28)25-12-10-24(11-13-25)17(3)26/h4,9,14,18-19H,5-8,10-13H2,1-3H3,(H,23,27)
InChIKeyXFIJAGWIBHPYHD-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.74
Rot. Bonds3

About 4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide (PubChem CID 109147715) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
PubChem CID109147715
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)CC1
InChIInChI=1S/C22H31N3O3/c1-15-4-9-20(14-16(15)2)23-21(27)18-5-7-19(8-6-18)22(28)25-12-10-24(11-13-25)17(3)26/h4,9,14,18-19H,5-8,10-13H2,1-3H3,(H,23,27)
InChIKeyXFIJAGWIBHPYHD-UHFFFAOYSA-N
XLogP2.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
CID 109147720
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide
CID 110418111
N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 113007435
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94197165
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide
CID 109147743

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide (CID 109147715) is 4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide is CC(=O)N1CCN(C(=O)C2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide?
The InChIKey is XFIJAGWIBHPYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15-4-9-20(14-16(15)2)23-21(27)18-5-7-19(8-6-18)22(28)25-12-10-24(11-13-25)17(3)26/h4,9,14,18-19H,5-8,10-13H2,1-3H3,(H,23,27).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.74, 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-(3,4-dimethylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).