3-(4-oxopiperidin-1-yl)propanenitrile

C8H12N2O — CID 82096677

IUPAC3-(4-oxopiperidin-1-yl)propanenitrile
SMILESN#CCCN1CCC(=O)CC1
InChIInChI=1S/C8H12N2O/c9-4-1-5-10-6-2-8(11)3-7-10/h1-3,5-7H2
InChIKeyWALGJCUDZULFTF-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.56
Rot. Bonds2

About 3-(4-oxopiperidin-1-yl)propanenitrile

3-(4-oxopiperidin-1-yl)propanenitrile (PubChem CID 82096677) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(4-oxopiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-oxopiperidin-1-yl)propanenitrile
PubChem CID82096677
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(4-oxopiperidin-1-yl)propanenitrile
SMILESN#CCCN1CCC(=O)CC1
InChIInChI=1S/C8H12N2O/c9-4-1-5-10-6-2-8(11)3-7-10/h1-3,5-7H2
InChIKeyWALGJCUDZULFTF-UHFFFAOYSA-N
XLogP0.56
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-oxopiperidin-1-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxopiperidin-1-yl)propanenitrile?
The IUPAC name of 3-(4-oxopiperidin-1-yl)propanenitrile (CID 82096677) is 3-(4-oxopiperidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-oxopiperidin-1-yl)propanenitrile?
The canonical SMILES for 3-(4-oxopiperidin-1-yl)propanenitrile is N#CCCN1CCC(=O)CC1.
What is the InChIKey of 3-(4-oxopiperidin-1-yl)propanenitrile?
The InChIKey is WALGJCUDZULFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-4-1-5-10-6-2-8(11)3-7-10/h1-3,5-7H2.
What are the key properties of 3-(4-oxopiperidin-1-yl)propanenitrile?
3-(4-oxopiperidin-1-yl)propanenitrile has a molecular weight of 152.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxopiperidin-1-yl)propanenitrile is sourced from PubChem (CID 82096677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).