1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid

C13H21NO3 — CID 735980

IUPAC1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H21NO3/c15-12(10-4-2-1-3-5-10)14-8-6-11(7-9-14)13(16)17/h10-11H,1-9H2,(H,16,17)
InChIKeyGEQOTAQXXZTTQZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.89
Rot. Bonds2

About 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid

1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid (PubChem CID 735980) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid
PubChem CID735980
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H21NO3/c15-12(10-4-2-1-3-5-10)14-8-6-11(7-9-14)13(16)17/h10-11H,1-9H2,(H,16,17)
InChIKeyGEQOTAQXXZTTQZ-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 1-(cyclohexylcarbonyl)piperidine-4-carboxylate
CID 808378
Methyl 1-(cyclohexylcarbonyl)-4-piperidinecarboxylate
CID 798678
3-(1-Acetylpiperidin-4-yl)propanoic acid
CID 9855751
Methyl 1-(3-cyclohexylpropanoyl)-4-piperidinecarboxylate
CID 756673
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
Sdccgsbi-0662776.P001
CID 63123213
2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic Acid
CID 4196302
1-Cyclopentanecarbonyl-4-methyl-piperidine-4-carboxylic acid
CID 63123243
3-[1-(4,4-Difluorocyclohexanecarbonyl)piperidin-4-yl]propanoic acid
CID 81928282
1-(4,4-Difluorocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 81930234
1-[1-(Trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
CID 174730208

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid (CID 735980) is 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid?
The InChIKey is GEQOTAQXXZTTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(10-4-2-1-3-5-10)14-8-6-11(7-9-14)13(16)17/h10-11H,1-9H2,(H,16,17).
What are the key properties of 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid?
1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 735980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).