5-methylpiperidin-3-one

C6H11NO — CID 58326428

IUPAC5-methylpiperidin-3-one
SMILESCC1CNCC(=O)C1
InChIInChI=1S/C6H11NO/c1-5-2-6(8)4-7-3-5/h5,7H,2-4H2,1H3
InChIKeyGLHKTRPJVQHNCM-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.18
Rot. Bonds

About 5-methylpiperidin-3-one

5-methylpiperidin-3-one (PubChem CID 58326428) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-methylpiperidin-3-one.

Molecular Properties

Compound Name5-methylpiperidin-3-one
PubChem CID58326428
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-methylpiperidin-3-one
SMILESCC1CNCC(=O)C1
InChIInChI=1S/C6H11NO/c1-5-2-6(8)4-7-3-5/h5,7H,2-4H2,1H3
InChIKeyGLHKTRPJVQHNCM-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylpiperidin-3-one?
The IUPAC name of 5-methylpiperidin-3-one (CID 58326428) is 5-methylpiperidin-3-one.
What is the SMILES notation for 5-methylpiperidin-3-one?
The canonical SMILES for 5-methylpiperidin-3-one is CC1CNCC(=O)C1.
What is the InChIKey of 5-methylpiperidin-3-one?
The InChIKey is GLHKTRPJVQHNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-6(8)4-7-3-5/h5,7H,2-4H2,1H3.
What are the key properties of 5-methylpiperidin-3-one?
5-methylpiperidin-3-one has a molecular weight of 113.16 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpiperidin-3-one is sourced from PubChem (CID 58326428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).