9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C16H19N3O2 — CID 53009360

IUPAC9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(C(=O)N3CCC(C)CC3)cnc12
InChIInChI=1S/C16H19N3O2/c1-11-5-8-18(9-6-11)15(20)13-10-17-14-12(2)4-3-7-19(14)16(13)21/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyOSSMDRMEDSVBHQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.88
Rot. Bonds1

About 9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 53009360) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID53009360
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(C(=O)N3CCC(C)CC3)cnc12
InChIInChI=1S/C16H19N3O2/c1-11-5-8-18(9-6-11)15(20)13-10-17-14-12(2)4-3-7-19(14)16(13)21/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyOSSMDRMEDSVBHQ-UHFFFAOYSA-N
XLogP1.88
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 53009360) is 9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(C(=O)N3CCC(C)CC3)cnc12.
What is the InChIKey of 9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OSSMDRMEDSVBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-5-8-18(9-6-11)15(20)13-10-17-14-12(2)4-3-7-19(14)16(13)21/h3-4,7,10-11H,5-6,8-9H2,1-2H3.
What are the key properties of 9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(4-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 53009360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).