4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide

C22H31N3O3 — CID 109147720

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)cc1
InChIInChI=1S/C22H31N3O3/c1-3-17-4-10-20(11-5-17)23-21(27)18-6-8-19(9-7-18)22(28)25-14-12-24(13-15-25)16(2)26/h4-5,10-11,18-19H,3,6-9,12-15H2,1-2H3,(H,23,27)
InChIKeyGWOKCKUOJXWMAL-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.68
Rot. Bonds4

About 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide (PubChem CID 109147720) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
PubChem CID109147720
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)cc1
InChIInChI=1S/C22H31N3O3/c1-3-17-4-10-20(11-5-17)23-21(27)18-6-8-19(9-7-18)22(28)25-14-12-24(13-15-25)16(2)26/h4-5,10-11,18-19H,3,6-9,12-15H2,1-2H3,(H,23,27)
InChIKeyGWOKCKUOJXWMAL-UHFFFAOYSA-N
XLogP2.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146283
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145490
N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147556
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147578
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109147465

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide (CID 109147720) is 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide is CCc1ccc(NC(=O)C2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)cc1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide?
The InChIKey is GWOKCKUOJXWMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-17-4-10-20(11-5-17)23-21(27)18-6-8-19(9-7-18)22(28)25-14-12-24(13-15-25)16(2)26/h4-5,10-11,18-19H,3,6-9,12-15H2,1-2H3,(H,23,27).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.68, 4 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-(4-ethylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).