1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid

C13H22N2O3 — CID 857246

IUPAC1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H22N2O3/c16-12(17)10-6-8-15(9-7-10)13(18)14-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeySSKQZRIWUQIBKW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.83
Rot. Bonds2

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

1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 857246) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID857246
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H22N2O3/c16-12(17)10-6-8-15(9-7-10)13(18)14-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeySSKQZRIWUQIBKW-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid (CID 857246) is 1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is SSKQZRIWUQIBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(17)10-6-8-15(9-7-10)13(18)14-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,14,18)(H,16,17).
What are the key properties of 1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid?
1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 857246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).