3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one

C12H17NO2 — CID 58356035

IUPAC3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one
SMILESCC(=O)C1CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C12H17NO2/c1-9(14)10-4-6-13(7-5-10)11-2-3-12(15)8-11/h8,10H,2-7H2,1H3
InChIKeyHICMCMCVONHHGJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.53
Rot. Bonds2

About 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one

3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one (PubChem CID 58356035) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one
PubChem CID58356035
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one
SMILESCC(=O)C1CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C12H17NO2/c1-9(14)10-4-6-13(7-5-10)11-2-3-12(15)8-11/h8,10H,2-7H2,1H3
InChIKeyHICMCMCVONHHGJ-UHFFFAOYSA-N
XLogP1.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one 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

3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclopent-2-en-1-one iodide
CID 10958231
3-(4-Methylpiperazin-1-yl)cyclopent-2-en-1-one
CID 11063014
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclopent-2-en-1-one
CID 10958232
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787968
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787969
2,3-Dimethyl-5-(4-methylpiperidin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 172640261
3-(3,5-Dimethylpiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one
CID 21679361
5-Methyl-2-piperidin-1-ylcyclopent-2-en-1-one
CID 18185984
1,2,3,6-Tetramethyl-2,3-dihydropyridin-4-one
CID 54403371
3-[4-(2-Methylpropyl)piperazin-1-yl]cyclopent-2-en-1-one
CID 59603417
(E)-3-(4-acetylpiperidin-1-yl)pent-2-enal
CID 88928449

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one (CID 58356035) is 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one is CC(=O)C1CCN(C2=CC(=O)CC2)CC1.
What is the InChIKey of 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one?
The InChIKey is HICMCMCVONHHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(14)10-4-6-13(7-5-10)11-2-3-12(15)8-11/h8,10H,2-7H2,1H3.
What are the key properties of 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one?
3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperidin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 58356035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).