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

C15H17N3O2 — CID 16621167

IUPAC3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C15H17N3O2/c1-11-5-4-7-17(10-11)14(19)12-9-16-13-6-2-3-8-18(13)15(12)20/h2-3,6,8-9,11H,4-5,7,10H2,1H3
InChIKeyBMHQJUUZHSGRGF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.57
Rot. Bonds1

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

3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 16621167) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID16621167
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C15H17N3O2/c1-11-5-4-7-17(10-11)14(19)12-9-16-13-6-2-3-8-18(13)15(12)20/h2-3,6,8-9,11H,4-5,7,10H2,1H3
InChIKeyBMHQJUUZHSGRGF-UHFFFAOYSA-N
XLogP1.57
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 16621167) is 3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is CC1CCCN(C(=O)c2cnc3ccccn3c2=O)C1.
What is the InChIKey of 3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BMHQJUUZHSGRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-5-4-7-17(10-11)14(19)12-9-16-13-6-2-3-8-18(13)15(12)20/h2-3,6,8-9,11H,4-5,7,10H2,1H3.
What are the key properties of 3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16621167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).