1-(3-oxobutyl)piperidin-2-one

C9H15NO2 — CID 62023557

IUPAC1-(3-oxobutyl)piperidin-2-one
SMILESCC(=O)CCN1CCCCC1=O
InChIInChI=1S/C9H15NO2/c1-8(11)5-7-10-6-3-2-4-9(10)12/h2-7H2,1H3
InChIKeyTYQQYOSWHDKPIE-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.98
Rot. Bonds3

About 1-(3-oxobutyl)piperidin-2-one

1-(3-oxobutyl)piperidin-2-one (PubChem CID 62023557) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3-oxobutyl)piperidin-2-one.

Molecular Properties

Compound Name1-(3-oxobutyl)piperidin-2-one
PubChem CID62023557
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3-oxobutyl)piperidin-2-one
SMILESCC(=O)CCN1CCCCC1=O
InChIInChI=1S/C9H15NO2/c1-8(11)5-7-10-6-3-2-4-9(10)12/h2-7H2,1H3
InChIKeyTYQQYOSWHDKPIE-UHFFFAOYSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxobutyl)piperidin-2-one?
The IUPAC name of 1-(3-oxobutyl)piperidin-2-one (CID 62023557) is 1-(3-oxobutyl)piperidin-2-one.
What is the SMILES notation for 1-(3-oxobutyl)piperidin-2-one?
The canonical SMILES for 1-(3-oxobutyl)piperidin-2-one is CC(=O)CCN1CCCCC1=O.
What is the InChIKey of 1-(3-oxobutyl)piperidin-2-one?
The InChIKey is TYQQYOSWHDKPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(11)5-7-10-6-3-2-4-9(10)12/h2-7H2,1H3.
What are the key properties of 1-(3-oxobutyl)piperidin-2-one?
1-(3-oxobutyl)piperidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxobutyl)piperidin-2-one is sourced from PubChem (CID 62023557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).