1-oxidopiperidin-3-one

C5H8NO2- — CID 87445989

IUPAC1-oxidopiperidin-3-one
SMILESO=C1CCCN([O-])C1
InChIInChI=1S/C5H8NO2/c7-5-2-1-3-6(8)4-5/h1-4H2/q-1
InChIKeyUWKMGHBYAGJMHT-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.15
Rot. Bonds

About 1-oxidopiperidin-3-one

1-oxidopiperidin-3-one (PubChem CID 87445989) has the molecular formula C5H8NO2- and a molecular weight of 114.12 g/mol. Its IUPAC name is 1-oxidopiperidin-3-one.

Molecular Properties

Compound Name1-oxidopiperidin-3-one
PubChem CID87445989
Molecular FormulaC5H8NO2-
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name1-oxidopiperidin-3-one
SMILESO=C1CCCN([O-])C1
InChIInChI=1S/C5H8NO2/c7-5-2-1-3-6(8)4-5/h1-4H2/q-1
InChIKeyUWKMGHBYAGJMHT-UHFFFAOYSA-N
XLogP0.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopiperidin-3-one?
The IUPAC name of 1-oxidopiperidin-3-one (CID 87445989) is 1-oxidopiperidin-3-one.
What is the SMILES notation for 1-oxidopiperidin-3-one?
The canonical SMILES for 1-oxidopiperidin-3-one is O=C1CCCN([O-])C1.
What is the InChIKey of 1-oxidopiperidin-3-one?
The InChIKey is UWKMGHBYAGJMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO2/c7-5-2-1-3-6(8)4-5/h1-4H2/q-1.
What are the key properties of 1-oxidopiperidin-3-one?
1-oxidopiperidin-3-one has a molecular weight of 114.12 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopiperidin-3-one is sourced from PubChem (CID 87445989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).