3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile

C19H25N3O — CID 95712896

IUPAC3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCCC[C@@H]2CCN2CCCC2=O)c1
InChIInChI=1S/C19H25N3O/c20-14-16-5-3-6-17(13-16)15-22-10-2-1-7-18(22)9-12-21-11-4-8-19(21)23/h3,5-6,13,18H,1-2,4,7-12,15H2/t18-/m1/s1
InChIKeyMETLXELXSDNPNK-GOSISDBHSA-N
MW311.43 g/mol
LogP2.93
Rot. Bonds5

About 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile

3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 95712896) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
PubChem CID95712896
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCCC[C@@H]2CCN2CCCC2=O)c1
InChIInChI=1S/C19H25N3O/c20-14-16-5-3-6-17(13-16)15-22-10-2-1-7-18(22)9-12-21-11-4-8-19(21)23/h3,5-6,13,18H,1-2,4,7-12,15H2/t18-/m1/s1
InChIKeyMETLXELXSDNPNK-GOSISDBHSA-N
XLogP2.93
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile 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

2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 56908889
1-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70783740
1-[2-[(2S)-1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 95718632
1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70738643
tert-butyl N-[[1-[(3-cyanophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 60602632
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408898
1-[2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 91833990
1-[2-[(2S)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 124752546
1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 42121848
3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56718060
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzonitrile
CID 63254536
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967217

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile (CID 95712896) is 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile is N#Cc1cccc(CN2CCCC[C@@H]2CCN2CCCC2=O)c1.
What is the InChIKey of 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is METLXELXSDNPNK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O/c20-14-16-5-3-6-17(13-16)15-22-10-2-1-7-18(22)9-12-21-11-4-8-19(21)23/h3,5-6,13,18H,1-2,4,7-12,15H2/t18-/m1/s1.
What are the key properties of 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile?
3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 311.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 95712896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).