piperidin-2-one

C5H9NO — CID 12665

IUPACpiperidin-2-one
SMILESO=C1CCCCN1
InChIInChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
InChIKeyXUWHAWMETYGRKB-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.29
Rot. Bonds

About piperidin-2-one

piperidin-2-one (PubChem CID 12665) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is piperidin-2-one.

Molecular Properties

Compound Namepiperidin-2-one
PubChem CID12665
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Namepiperidin-2-one
SMILESO=C1CCCCN1
InChIInChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
InChIKeyXUWHAWMETYGRKB-UHFFFAOYSA-N
XLogP0.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of piperidin-2-one?
The IUPAC name of piperidin-2-one (CID 12665) is piperidin-2-one.
What is the SMILES notation for piperidin-2-one?
The canonical SMILES for piperidin-2-one is O=C1CCCCN1.
What is the InChIKey of piperidin-2-one?
The InChIKey is XUWHAWMETYGRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7).
What are the key properties of piperidin-2-one?
piperidin-2-one has a molecular weight of 99.13 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-one is sourced from PubChem (CID 12665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).