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

C14H16N4O2 — CID 119473481

IUPAC3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CNCCN1C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H16N4O2/c1-10-8-15-5-7-17(10)13(19)11-9-16-12-4-2-3-6-18(12)14(11)20/h2-4,6,9-10,15H,5,7-8H2,1H3
InChIKeyVHMGTIQHHNSNHL-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.13
Rot. Bonds1

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

3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 119473481) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID119473481
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CNCCN1C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H16N4O2/c1-10-8-15-5-7-17(10)13(19)11-9-16-12-4-2-3-6-18(12)14(11)20/h2-4,6,9-10,15H,5,7-8H2,1H3
InChIKeyVHMGTIQHHNSNHL-UHFFFAOYSA-N
XLogP0.13
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119580673
(2-methylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119470274
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 102738479
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612979
3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612977
3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 92839895
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705753
7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 120732049
3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675430
(5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472417

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 119473481) is 3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is CC1CNCCN1C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of 3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VHMGTIQHHNSNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-8-15-5-7-17(10)13(19)11-9-16-12-4-2-3-6-18(12)14(11)20/h2-4,6,9-10,15H,5,7-8H2,1H3.
What are the key properties of 3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.31 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 119473481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).