3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H24N2O4 — CID 63044371

IUPAC3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)NC2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H24N2O4/c1-10(18)17-7-5-11(6-8-17)14(19)16-13-4-2-3-12(9-13)15(20)21/h11-13H,2-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyDCAHOMRUIAEWPF-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.00
Rot. Bonds3

About 3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63044371) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63044371
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)NC2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H24N2O4/c1-10(18)17-7-5-11(6-8-17)14(19)16-13-4-2-3-12(9-13)15(20)21/h11-13H,2-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyDCAHOMRUIAEWPF-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

4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807892
N-(1-acetylpyrrolidin-3-yl)cyclopentanecarboxamide
CID 110871331
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132
3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147693
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
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
1-acetyl-N-(1-cyclopropylpiperidin-4-yl)piperidine-4-carboxamide
CID 110750203
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63044371) is 3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CC(=O)N1CCC(C(=O)NC2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DCAHOMRUIAEWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(18)17-7-5-11(6-8-17)14(19)16-13-4-2-3-12(9-13)15(20)21/h11-13H,2-9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(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 3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).