(2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile

C20H19N3O2 — CID 95768786

IUPAC(2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile
SMILESN#C[C@@H](C(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1ccccn1
InChIInChI=1S/C20H19N3O2/c21-14-16(17-10-4-6-12-22-17)20(25)19(15-8-2-1-3-9-15)23-13-7-5-11-18(23)24/h1-4,6,8-10,12,16,19H,5,7,11,13H2/t16-,19-/m1/s1
InChIKeyJVPKTVSXNIYHMX-VQIMIIECSA-N
MW333.39 g/mol
LogP3.01
Rot. Bonds5

About (2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile

(2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile (PubChem CID 95768786) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile.

Molecular Properties

Compound Name(2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile
PubChem CID95768786
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile
SMILESN#C[C@@H](C(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1ccccn1
InChIInChI=1S/C20H19N3O2/c21-14-16(17-10-4-6-12-22-17)20(25)19(15-8-2-1-3-9-15)23-13-7-5-11-18(23)24/h1-4,6,8-10,12,16,19H,5,7,11,13H2/t16-,19-/m1/s1
InChIKeyJVPKTVSXNIYHMX-VQIMIIECSA-N
XLogP3.01
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 97014692
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 56515984
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
CID 156875681
N-(4-hydroxycyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111113210
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
CID 97253743
(2S)-N-imidazo[1,2-a]pyridin-5-yl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 124887769
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 56577093
1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one
CID 122232138
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 167798996
(2S,4S)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanenitrile
CID 96565436

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile?
The IUPAC name of (2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile (CID 95768786) is (2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile.
What is the SMILES notation for (2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile?
The canonical SMILES for (2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile is N#C[C@@H](C(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1ccccn1.
What is the InChIKey of (2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile?
The InChIKey is JVPKTVSXNIYHMX-VQIMIIECSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-14-16(17-10-4-6-12-22-17)20(25)19(15-8-2-1-3-9-15)23-13-7-5-11-18(23)24/h1-4,6,8-10,12,16,19H,5,7,11,13H2/t16-,19-/m1/s1.
What are the key properties of (2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile?
(2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile has a molecular weight of 333.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-oxo-4-(2-oxopiperidin-1-yl)-4-phenyl-2-pyridin-2-ylbutanenitrile is sourced from PubChem (CID 95768786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).