6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C15H19N3O — CID 115054640

IUPAC6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CC3CCCNC3)cc(=O)n12
InChIInChI=1S/C15H19N3O/c1-11-4-2-6-14-17-13(9-15(19)18(11)14)8-12-5-3-7-16-10-12/h2,4,6,9,12,16H,3,5,7-8,10H2,1H3
InChIKeyACBDVFLJICRRDQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.55
Rot. Bonds2

About 6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054640) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054640
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CC3CCCNC3)cc(=O)n12
InChIInChI=1S/C15H19N3O/c1-11-4-2-6-14-17-13(9-15(19)18(11)14)8-12-5-3-7-16-10-12/h2,4,6,9,12,16H,3,5,7-8,10H2,1H3
InChIKeyACBDVFLJICRRDQ-UHFFFAOYSA-N
XLogP1.55
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10098883, Example 62
CID 137528602
2-[1-(2-Fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89740350
2-(1-Fluoroethyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740546
3-Ethyl-9-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740549
3-(1-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740551
3-(2-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740553
2-[1-(3-Fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89741373
2-(1-Fluoropropyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741703
9-Fluoro-2-piperidin-4-yl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 89741706
3-(1-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741709
3-(3-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741712
2-Piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053366

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054640) is 6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CC3CCCNC3)cc(=O)n12.
What is the InChIKey of 6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ACBDVFLJICRRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-4-2-6-14-17-13(9-15(19)18(11)14)8-12-5-3-7-16-10-12/h2,4,6,9,12,16H,3,5,7-8,10H2,1H3.
What are the key properties of 6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 257.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).