4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H24N2O4 — CID 60807892

IUPAC4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H24N2O4/c1-10(18)17-8-6-11(7-9-17)14(19)16-13-4-2-12(3-5-13)15(20)21/h11-13H,2-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyAHOJHSHTKMRLOK-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.00
Rot. Bonds3

About 4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60807892) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60807892
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H24N2O4/c1-10(18)17-8-6-11(7-9-17)14(19)16-13-4-2-12(3-5-13)15(20)21/h11-13H,2-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyAHOJHSHTKMRLOK-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044371
1-acetyl-N-(1-cyclopropylpiperidin-4-yl)piperidine-4-carboxamide
CID 110750203
N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110715002
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
1-acetyl-N-(4-ethyl-4-methylcyclohexyl)piperidine-4-carboxamide
CID 130233575
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389164
N-(1-acetylpyrrolidin-3-yl)cyclopentanecarboxamide
CID 110871331
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
N-[(4aS,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-acetylpiperidine-4-carboxamide
CID 124856012
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60807892) is 4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CC(=O)N1CCC(C(=O)NC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is AHOJHSHTKMRLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(18)17-8-6-11(7-9-17)14(19)16-13-4-2-12(3-5-13)15(20)21/h11-13H,2-9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60807892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).