1-(4-acetylcyclohexyl)piperidin-2-one

C13H21NO2 — CID 58664390

IUPAC1-(4-acetylcyclohexyl)piperidin-2-one
SMILESCC(=O)C1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C13H21NO2/c1-10(15)11-5-7-12(8-6-11)14-9-3-2-4-13(14)16/h11-12H,2-9H2,1H3
InChIKeyMQQOIRZGOULTPQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.15
Rot. Bonds2

About 1-(4-acetylcyclohexyl)piperidin-2-one

1-(4-acetylcyclohexyl)piperidin-2-one (PubChem CID 58664390) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-acetylcyclohexyl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-acetylcyclohexyl)piperidin-2-one
PubChem CID58664390
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(4-acetylcyclohexyl)piperidin-2-one
SMILESCC(=O)C1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C13H21NO2/c1-10(15)11-5-7-12(8-6-11)14-9-3-2-4-13(14)16/h11-12H,2-9H2,1H3
InChIKeyMQQOIRZGOULTPQ-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylcyclohexyl)piperidin-2-one?
The IUPAC name of 1-(4-acetylcyclohexyl)piperidin-2-one (CID 58664390) is 1-(4-acetylcyclohexyl)piperidin-2-one.
What is the SMILES notation for 1-(4-acetylcyclohexyl)piperidin-2-one?
The canonical SMILES for 1-(4-acetylcyclohexyl)piperidin-2-one is CC(=O)C1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 1-(4-acetylcyclohexyl)piperidin-2-one?
The InChIKey is MQQOIRZGOULTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(15)11-5-7-12(8-6-11)14-9-3-2-4-13(14)16/h11-12H,2-9H2,1H3.
What are the key properties of 1-(4-acetylcyclohexyl)piperidin-2-one?
1-(4-acetylcyclohexyl)piperidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylcyclohexyl)piperidin-2-one is sourced from PubChem (CID 58664390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).