1-(phenylcarbamoyl)piperidine-4-carboxylic acid

C13H16N2O3 — CID 2113075

IUPAC1-(phenylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(17)10-6-8-15(9-7-10)13(18)14-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,18)(H,16,17)
InChIKeyFQYHUUNCGUFBAM-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.02
Rot. Bonds2

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

1-(phenylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 2113075) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(phenylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(phenylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID2113075
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(phenylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(17)10-6-8-15(9-7-10)13(18)14-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,18)(H,16,17)
InChIKeyFQYHUUNCGUFBAM-UHFFFAOYSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(phenylcarbamoyl)piperidine-4-carboxylic acid (CID 2113075) is 1-(phenylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(phenylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(phenylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-(phenylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is FQYHUUNCGUFBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)10-6-8-15(9-7-10)13(18)14-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,18)(H,16,17).
What are the key properties of 1-(phenylcarbamoyl)piperidine-4-carboxylic acid?
1-(phenylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 2113075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).