1-(5-methylpyrimidin-2-yl)piperidin-4-one

C10H13N3O — CID 63208322

IUPAC1-(5-methylpyrimidin-2-yl)piperidin-4-one
SMILESCc1cnc(N2CCC(=O)CC2)nc1
InChIInChI=1S/C10H13N3O/c1-8-6-11-10(12-7-8)13-4-2-9(14)3-5-13/h6-7H,2-5H2,1H3
InChIKeyVUZMQRBOMIDAKK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.95
Rot. Bonds1

About 1-(5-methylpyrimidin-2-yl)piperidin-4-one

1-(5-methylpyrimidin-2-yl)piperidin-4-one (PubChem CID 63208322) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(5-methylpyrimidin-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-methylpyrimidin-2-yl)piperidin-4-one
PubChem CID63208322
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(5-methylpyrimidin-2-yl)piperidin-4-one
SMILESCc1cnc(N2CCC(=O)CC2)nc1
InChIInChI=1S/C10H13N3O/c1-8-6-11-10(12-7-8)13-4-2-9(14)3-5-13/h6-7H,2-5H2,1H3
InChIKeyVUZMQRBOMIDAKK-UHFFFAOYSA-N
XLogP0.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrimidin-2-yl)piperidin-4-one?
The IUPAC name of 1-(5-methylpyrimidin-2-yl)piperidin-4-one (CID 63208322) is 1-(5-methylpyrimidin-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(5-methylpyrimidin-2-yl)piperidin-4-one?
The canonical SMILES for 1-(5-methylpyrimidin-2-yl)piperidin-4-one is Cc1cnc(N2CCC(=O)CC2)nc1.
What is the InChIKey of 1-(5-methylpyrimidin-2-yl)piperidin-4-one?
The InChIKey is VUZMQRBOMIDAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-6-11-10(12-7-8)13-4-2-9(14)3-5-13/h6-7H,2-5H2,1H3.
What are the key properties of 1-(5-methylpyrimidin-2-yl)piperidin-4-one?
1-(5-methylpyrimidin-2-yl)piperidin-4-one has a molecular weight of 191.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrimidin-2-yl)piperidin-4-one is sourced from PubChem (CID 63208322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).