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

C10H13N3O — CID 62785662

IUPAC1-(2-methylpyrimidin-4-yl)piperidin-4-one
SMILESCc1nccc(N2CCC(=O)CC2)n1
InChIInChI=1S/C10H13N3O/c1-8-11-5-2-10(12-8)13-6-3-9(14)4-7-13/h2,5H,3-4,6-7H2,1H3
InChIKeyGEKOVHSJYIKFME-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.95
Rot. Bonds1

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

1-(2-methylpyrimidin-4-yl)piperidin-4-one (PubChem CID 62785662) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)piperidin-4-one
PubChem CID62785662
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(2-methylpyrimidin-4-yl)piperidin-4-one
SMILESCc1nccc(N2CCC(=O)CC2)n1
InChIInChI=1S/C10H13N3O/c1-8-11-5-2-10(12-8)13-6-3-9(14)4-7-13/h2,5H,3-4,6-7H2,1H3
InChIKeyGEKOVHSJYIKFME-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-(2-methylpyrimidin-4-yl)piperidin-4-one?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)piperidin-4-one (CID 62785662) is 1-(2-methylpyrimidin-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)piperidin-4-one?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)piperidin-4-one is Cc1nccc(N2CCC(=O)CC2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)piperidin-4-one?
The InChIKey is GEKOVHSJYIKFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-11-5-2-10(12-8)13-6-3-9(14)4-7-13/h2,5H,3-4,6-7H2,1H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)piperidin-4-one?
1-(2-methylpyrimidin-4-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-(2-methylpyrimidin-4-yl)piperidin-4-one is sourced from PubChem (CID 62785662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).