6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one

C16H21N3O — CID 115054633

IUPAC6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CCC3CCNCC3)cc(=O)n12
InChIInChI=1S/C16H21N3O/c1-12-3-2-4-15-18-14(11-16(20)19(12)15)6-5-13-7-9-17-10-8-13/h2-4,11,13,17H,5-10H2,1H3
InChIKeyXIEQJYSVGGJLIK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.94
Rot. Bonds3

About 6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054633) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054633
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CCC3CCNCC3)cc(=O)n12
InChIInChI=1S/C16H21N3O/c1-12-3-2-4-15-18-14(11-16(20)19(12)15)6-5-13-7-9-17-10-8-13/h2-4,11,13,17H,5-10H2,1H3
InChIKeyXIEQJYSVGGJLIK-UHFFFAOYSA-N
XLogP1.94
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054633) is 6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CCC3CCNCC3)cc(=O)n12.
What is the InChIKey of 6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XIEQJYSVGGJLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-3-2-4-15-18-14(11-16(20)19(12)15)6-5-13-7-9-17-10-8-13/h2-4,11,13,17H,5-10H2,1H3.
What are the key properties of 6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).