4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one

C17H22N4O — CID 138379200

IUPAC4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one
SMILESCCc1cnc(N2CCC(c3ccn(C)c(=O)c3)CC2)nc1
InChIInChI=1S/C17H22N4O/c1-3-13-11-18-17(19-12-13)21-8-5-14(6-9-21)15-4-7-20(2)16(22)10-15/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3
InChIKeyXCODOYUMJKDSCF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.12
Rot. Bonds3

About 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one

4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138379200) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138379200
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one
SMILESCCc1cnc(N2CCC(c3ccn(C)c(=O)c3)CC2)nc1
InChIInChI=1S/C17H22N4O/c1-3-13-11-18-17(19-12-13)21-8-5-14(6-9-21)15-4-7-20(2)16(22)10-15/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3
InChIKeyXCODOYUMJKDSCF-UHFFFAOYSA-N
XLogP2.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one (CID 138379200) is 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one is CCc1cnc(N2CCC(c3ccn(C)c(=O)c3)CC2)nc1.
What is the InChIKey of 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is XCODOYUMJKDSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-13-11-18-17(19-12-13)21-8-5-14(6-9-21)15-4-7-20(2)16(22)10-15/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3.
What are the key properties of 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138379200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).