1-methylpiperidin-2-one;piperidin-2-one

C11H20N2O2 — CID 137374388

IUPAC1-methylpiperidin-2-one;piperidin-2-one
SMILESCN1CCCCC1=O.O=C1CCCCN1
InChIInChI=1S/C6H11NO.C5H9NO/c1-7-5-3-2-4-6(7)8;7-5-3-1-2-4-6-5/h2-5H2,1H3;1-4H2,(H,6,7)
InChIKeyODFVDZULHCDSBZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.92
Rot. Bonds

About 1-methylpiperidin-2-one;piperidin-2-one

1-methylpiperidin-2-one;piperidin-2-one (PubChem CID 137374388) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-methylpiperidin-2-one;piperidin-2-one.

Molecular Properties

Compound Name1-methylpiperidin-2-one;piperidin-2-one
PubChem CID137374388
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-methylpiperidin-2-one;piperidin-2-one
SMILESCN1CCCCC1=O.O=C1CCCCN1
InChIInChI=1S/C6H11NO.C5H9NO/c1-7-5-3-2-4-6(7)8;7-5-3-1-2-4-6-5/h2-5H2,1H3;1-4H2,(H,6,7)
InChIKeyODFVDZULHCDSBZ-UHFFFAOYSA-N
XLogP0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-2-one;piperidin-2-one?
The IUPAC name of 1-methylpiperidin-2-one;piperidin-2-one (CID 137374388) is 1-methylpiperidin-2-one;piperidin-2-one.
What is the SMILES notation for 1-methylpiperidin-2-one;piperidin-2-one?
The canonical SMILES for 1-methylpiperidin-2-one;piperidin-2-one is CN1CCCCC1=O.O=C1CCCCN1.
What is the InChIKey of 1-methylpiperidin-2-one;piperidin-2-one?
The InChIKey is ODFVDZULHCDSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H9NO/c1-7-5-3-2-4-6(7)8;7-5-3-1-2-4-6-5/h2-5H2,1H3;1-4H2,(H,6,7).
What are the key properties of 1-methylpiperidin-2-one;piperidin-2-one?
1-methylpiperidin-2-one;piperidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-2-one;piperidin-2-one is sourced from PubChem (CID 137374388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).