1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid

C15H19NO3 — CID 22225856

IUPAC1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
SMILESO=C(CCN1CCCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO3/c17-14(12-6-2-1-3-7-12)9-11-16-10-5-4-8-13(16)15(18)19/h1-3,6-7,13H,4-5,8-11H2,(H,18,19)
InChIKeyYNGMREMILUUIBR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.20
Rot. Bonds5

About 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid

1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid (PubChem CID 22225856) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
PubChem CID22225856
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
SMILESO=C(CCN1CCCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO3/c17-14(12-6-2-1-3-7-12)9-11-16-10-5-4-8-13(16)15(18)19/h1-3,6-7,13H,4-5,8-11H2,(H,18,19)
InChIKeyYNGMREMILUUIBR-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid
CID 82183559
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-one
CID 62613737
1-[3-(4-butoxyphenyl)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 82183436
1-[3-(3-methyl-1-benzofuran-2-yl)-3-oxopropyl]piperidine-2-carboxylic acid
CID 82183584
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 82224049
1-phenacylpiperidine-2-carboxamide
CID 60681003
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037
1-(2-benzylsulfanylethyl)piperidine-2-carboxylic acid
CID 122040507
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 11717409
1-[3-(2-methoxy-5-methylphenyl)-3-oxopropyl]piperidine-2-carboxylic acid
CID 82183567
1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124615998

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid (CID 22225856) is 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid is O=C(CCN1CCCCC1C(=O)O)c1ccccc1.
What is the InChIKey of 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid?
The InChIKey is YNGMREMILUUIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(12-6-2-1-3-7-12)9-11-16-10-5-4-8-13(16)15(18)19/h1-3,6-7,13H,4-5,8-11H2,(H,18,19).
What are the key properties of 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid?
1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 22225856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).