3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one

C11H17NO2 — CID 102958779

IUPAC3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one
SMILESCC1CCN(C2=CC(=O)CC2)CC1O
InChIInChI=1S/C11H17NO2/c1-8-4-5-12(7-11(8)14)9-2-3-10(13)6-9/h6,8,11,14H,2-5,7H2,1H3
InChIKeyIKABZZUYMYRZMF-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.94
Rot. Bonds1

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

3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one (PubChem CID 102958779) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one
PubChem CID102958779
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one
SMILESCC1CCN(C2=CC(=O)CC2)CC1O
InChIInChI=1S/C11H17NO2/c1-8-4-5-12(7-11(8)14)9-2-3-10(13)6-9/h6,8,11,14H,2-5,7H2,1H3
InChIKeyIKABZZUYMYRZMF-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-hydroxy-4-methylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one (CID 102958779) is 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one is CC1CCN(C2=CC(=O)CC2)CC1O.
What is the InChIKey of 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
The InChIKey is IKABZZUYMYRZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-4-5-12(7-11(8)14)9-2-3-10(13)6-9/h6,8,11,14H,2-5,7H2,1H3.
What are the key properties of 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 102958779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).