3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

C15H18N4O2 — CID 119377302

IUPAC3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCCC(N)C3)c(=O)n2c1
InChIInChI=1S/C15H18N4O2/c1-10-4-5-13-17-7-12(15(21)19(13)8-10)14(20)18-6-2-3-11(16)9-18/h4-5,7-8,11H,2-3,6,9,16H2,1H3
InChIKeyRXISOHJVNHXESN-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.57
Rot. Bonds1

About 3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 119377302) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID119377302
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCCC(N)C3)c(=O)n2c1
InChIInChI=1S/C15H18N4O2/c1-10-4-5-13-17-7-12(15(21)19(13)8-10)14(20)18-6-2-3-11(16)9-18/h4-5,7-8,11H,2-3,6,9,16H2,1H3
InChIKeyRXISOHJVNHXESN-UHFFFAOYSA-N
XLogP0.57
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119592865
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119631055
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120749650
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119631054
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 134021810
3-[(3S,4R)-3-amino-4-(2-fluorophenyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 167781575
(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119113428
3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120573008
N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119609339
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 86779478
3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 119377302) is 3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCCC(N)C3)c(=O)n2c1.
What is the InChIKey of 3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RXISOHJVNHXESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-4-5-13-17-7-12(15(21)19(13)8-10)14(20)18-6-2-3-11(16)9-18/h4-5,7-8,11H,2-3,6,9,16H2,1H3.
What are the key properties of 3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.33 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 119377302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).