3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile

C13H21N3O — CID 131945394

IUPAC3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
SMILESCC1(C#N)CCCN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C13H21N3O/c1-13(10-14)5-4-6-15(11-13)9-12(17)16-7-2-3-8-16/h2-9,11H2,1H3
InChIKeyKFVKZIOVFXQPNW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.23
Rot. Bonds2

About 3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile

3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile (PubChem CID 131945394) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
PubChem CID131945394
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
SMILESCC1(C#N)CCCN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C13H21N3O/c1-13(10-14)5-4-6-15(11-13)9-12(17)16-7-2-3-8-16/h2-9,11H2,1H3
InChIKeyKFVKZIOVFXQPNW-UHFFFAOYSA-N
XLogP1.23
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-3-methylpiperidin-1-yl)acetamide
CID 130666840
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988
1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone
CID 126790320
3-methyl-1-[2-(2-methylimidazol-1-yl)acetyl]piperidine-3-carbonitrile
CID 131922462
1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methylpiperidine-3-carbonitrile
CID 90652340
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-(2,2-dimethylmorpholin-4-yl)-1-piperidin-1-ylethanone
CID 70907050
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55462141
3-methyl-1-[2-(4-methylsulfonylphenyl)acetyl]piperidine-3-carbonitrile
CID 131916094
3-[(3-cyano-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 131906181
(3R)-1-[2-[4-(dimethylamino)phenyl]acetyl]-3-methylpiperidine-3-carbonitrile
CID 99974497

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile?
The IUPAC name of 3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile (CID 131945394) is 3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile.
What is the SMILES notation for 3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile?
The canonical SMILES for 3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile is CC1(C#N)CCCN(CC(=O)N2CCCC2)C1.
What is the InChIKey of 3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile?
The InChIKey is KFVKZIOVFXQPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(10-14)5-4-6-15(11-13)9-12(17)16-7-2-3-8-16/h2-9,11H2,1H3.
What are the key properties of 3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile?
3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile has a molecular weight of 235.33 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile is sourced from PubChem (CID 131945394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).