(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid

C19H20N2O3 — CID 95282069

IUPAC(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N(CCc2ccccn2)[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-17-10-9-16(19(23)24)18(14-6-2-1-3-7-14)21(17)13-11-15-8-4-5-12-20-15/h1-8,12,16,18H,9-11,13H2,(H,23,24)/t16-,18-/m0/s1
InChIKeyKSBZMYILACGCNI-WMZOPIPTSA-N
MW324.38 g/mol
LogP2.69
Rot. Bonds5

About (2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid

(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid (PubChem CID 95282069) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
PubChem CID95282069
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N(CCc2ccccn2)[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-17-10-9-16(19(23)24)18(14-6-2-1-3-7-14)21(17)13-11-15-8-4-5-12-20-15/h1-8,12,16,18H,9-11,13H2,(H,23,24)/t16-,18-/m0/s1
InChIKeyKSBZMYILACGCNI-WMZOPIPTSA-N
XLogP2.69
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
CID 82021519
(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95301325
1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 102549060
(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95311627
(2S,3S)-2-(3-cyanophenyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 95276730
(2R,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7094966
(2S,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7023522
(2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110087619
(2R,3R)-1-[2-(2-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291497
(2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid
CID 95763670
(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 95291535
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid (CID 95282069) is (2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCC(=O)N(CCc2ccccn2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid?
The InChIKey is KSBZMYILACGCNI-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-17-10-9-16(19(23)24)18(14-6-2-1-3-7-14)21(17)13-11-15-8-4-5-12-20-15/h1-8,12,16,18H,9-11,13H2,(H,23,24)/t16-,18-/m0/s1.
What are the key properties of (2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid?
(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95282069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).