3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C16H19N3O2 — CID 24660068

IUPAC3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC(C)CN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C16H19N3O2/c1-11-7-12(2)10-18(9-11)15(20)13-8-17-14-5-3-4-6-19(14)16(13)21/h3-6,8,11-12H,7,9-10H2,1-2H3
InChIKeyQZAPQNYKHQRZHL-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.81
Rot. Bonds1

About 3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24660068) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID24660068
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC(C)CN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C16H19N3O2/c1-11-7-12(2)10-18(9-11)15(20)13-8-17-14-5-3-4-6-19(14)16(13)21/h3-6,8,11-12H,7,9-10H2,1-2H3
InChIKeyQZAPQNYKHQRZHL-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 24660068) is 3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is CC1CC(C)CN(C(=O)c2cnc3ccccn3c2=O)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QZAPQNYKHQRZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-7-12(2)10-18(9-11)15(20)13-8-17-14-5-3-4-6-19(14)16(13)21/h3-6,8,11-12H,7,9-10H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24660068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).