(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid

C19H24N2O4 — CID 99638802

IUPAC(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N2CCCCC2=O)C1
InChIInChI=1S/C19H24N2O4/c22-16-10-4-5-12-21(16)17(14-7-2-1-3-8-14)18(23)20-11-6-9-15(13-20)19(24)25/h1-3,7-8,15,17H,4-6,9-13H2,(H,24,25)/t15-,17+/m1/s1
InChIKeyKRHJBYYEDQUWKZ-WBVHZDCISA-N
MW344.41 g/mol
LogP2.06
Rot. Bonds4

About (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid

(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid (PubChem CID 99638802) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
PubChem CID99638802
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N2CCCCC2=O)C1
InChIInChI=1S/C19H24N2O4/c22-16-10-4-5-12-21(16)17(14-7-2-1-3-8-14)18(23)20-11-6-9-15(13-20)19(24)25/h1-3,7-8,15,17H,4-6,9-13H2,(H,24,25)/t15-,17+/m1/s1
InChIKeyKRHJBYYEDQUWKZ-WBVHZDCISA-N
XLogP2.06
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-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-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 119038037
N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide
CID 56505966
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 120742427
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119623436
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638949
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119663039
methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate
CID 56540269

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid (CID 99638802) is (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N2CCCCC2=O)C1.
What is the InChIKey of (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid?
The InChIKey is KRHJBYYEDQUWKZ-WBVHZDCISA-N. The full InChI is InChI=1S/C19H24N2O4/c22-16-10-4-5-12-21(16)17(14-7-2-1-3-8-14)18(23)20-11-6-9-15(13-20)19(24)25/h1-3,7-8,15,17H,4-6,9-13H2,(H,24,25)/t15-,17+/m1/s1.
What are the key properties of (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid?
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99638802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).