3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one

C14H21NO2 — CID 14493362

IUPAC3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one
SMILESCCCN1CCCC(C2=CC(=O)CCC2)C1=O
InChIInChI=1S/C14H21NO2/c1-2-8-15-9-4-7-13(14(15)17)11-5-3-6-12(16)10-11/h10,13H,2-9H2,1H3
InChIKeyTZZYLPJAVODTMG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds3

About 3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one

3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one (PubChem CID 14493362) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one.

Molecular Properties

Compound Name3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one
PubChem CID14493362
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one
SMILESCCCN1CCCC(C2=CC(=O)CCC2)C1=O
InChIInChI=1S/C14H21NO2/c1-2-8-15-9-4-7-13(14(15)17)11-5-3-6-12(16)10-11/h10,13H,2-9H2,1H3
InChIKeyTZZYLPJAVODTMG-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one 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-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one?
The IUPAC name of 3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one (CID 14493362) is 3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one.
What is the SMILES notation for 3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one?
The canonical SMILES for 3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one is CCCN1CCCC(C2=CC(=O)CCC2)C1=O.
What is the InChIKey of 3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one?
The InChIKey is TZZYLPJAVODTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-8-15-9-4-7-13(14(15)17)11-5-3-6-12(16)10-11/h10,13H,2-9H2,1H3.
What are the key properties of 3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one?
3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one is sourced from PubChem (CID 14493362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).