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

C13H21NO2 — CID 103900656

IUPAC2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2C=CCC2)CC1O
InChIInChI=1S/C13H21NO2/c1-10-6-7-14(9-12(10)15)13(16)8-11-4-2-3-5-11/h2,4,10-12,15H,3,5-9H2,1H3
InChIKeyARHSJUZTODHGQY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.57
Rot. Bonds2

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

2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 103900656) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID103900656
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2C=CCC2)CC1O
InChIInChI=1S/C13H21NO2/c1-10-6-7-14(9-12(10)15)13(16)8-11-4-2-3-5-11/h2,4,10-12,15H,3,5-9H2,1H3
InChIKeyARHSJUZTODHGQY-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 103900656) is 2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CC2C=CCC2)CC1O.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is ARHSJUZTODHGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-6-7-14(9-12(10)15)13(16)8-11-4-2-3-5-11/h2,4,10-12,15H,3,5-9H2,1H3.
What are the key properties of 2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 223.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103900656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).