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

C19H25N3O — CID 56908889

IUPAC2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C19H25N3O/c20-14-16-6-1-2-7-17(16)15-22-11-4-3-8-18(22)10-13-21-12-5-9-19(21)23/h1-2,6-7,18H,3-5,8-13,15H2
InChIKeyDMVROCIHYKNIHN-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.93
Rot. Bonds5

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

2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 56908889) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
PubChem CID56908889
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C19H25N3O/c20-14-16-6-1-2-7-17(16)15-22-11-4-3-8-18(22)10-13-21-12-5-9-19(21)23/h1-2,6-7,18H,3-5,8-13,15H2
InChIKeyDMVROCIHYKNIHN-UHFFFAOYSA-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

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Related Compounds

3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 95712896
3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56718060
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967217
2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 103886136
1-[2-[(2S)-1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 95718632
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-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70783740
1-[2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 91833990
1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70738643
1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967218
4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 83044306
1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 26319404

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile (CID 56908889) is 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CCCCC1CCN1CCCC1=O.
What is the InChIKey of 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is DMVROCIHYKNIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c20-14-16-6-1-2-7-17(16)15-22-11-4-3-8-18(22)10-13-21-12-5-9-19(21)23/h1-2,6-7,18H,3-5,8-13,15H2.
What are the key properties of 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile?
2-[[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 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 56908889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).