2-oxo-6-phenylpiperidine-3-carboxylic acid

C12H13NO3 — CID 71651347

IUPAC2-oxo-6-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2)NC1=O
InChIInChI=1S/C12H13NO3/c14-11-9(12(15)16)6-7-10(13-11)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)(H,15,16)
InChIKeyLUPWYQOMTGVCOV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.34
Rot. Bonds2

About 2-oxo-6-phenylpiperidine-3-carboxylic acid

2-oxo-6-phenylpiperidine-3-carboxylic acid (PubChem CID 71651347) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-oxo-6-phenylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-phenylpiperidine-3-carboxylic acid
PubChem CID71651347
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-oxo-6-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2)NC1=O
InChIInChI=1S/C12H13NO3/c14-11-9(12(15)16)6-7-10(13-11)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)(H,15,16)
InChIKeyLUPWYQOMTGVCOV-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
5-(2-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 13416193
(4R)-1-nitroso-4-phenylimidazolidin-2-one
CID 142070410
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213
(3S,5R)-3-amino-5-phenylpyrrolidin-2-one
CID 99646622
methyl 6-(3-chlorophenyl)-2-oxopiperidine-3-carboxylate
CID 167994890
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
1-(1-hydroxyethyl)-4-phenylimidazolidin-2-one
CID 70630511
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
N-(4-methoxyphenyl)-2-oxo-5-phenylpyrrolidine-3-carboxamide
CID 168869833
(2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid
CID 96839975

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-phenylpiperidine-3-carboxylic acid?
The IUPAC name of 2-oxo-6-phenylpiperidine-3-carboxylic acid (CID 71651347) is 2-oxo-6-phenylpiperidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-6-phenylpiperidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-6-phenylpiperidine-3-carboxylic acid is O=C(O)C1CCC(c2ccccc2)NC1=O.
What is the InChIKey of 2-oxo-6-phenylpiperidine-3-carboxylic acid?
The InChIKey is LUPWYQOMTGVCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11-9(12(15)16)6-7-10(13-11)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-oxo-6-phenylpiperidine-3-carboxylic acid?
2-oxo-6-phenylpiperidine-3-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenylpiperidine-3-carboxylic acid is sourced from PubChem (CID 71651347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).