2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C19H18N4O2 — CID 175650790

IUPAC2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccccc1)N1CCN(c2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C19H18N4O2/c24-18-14-17(20-16-8-4-5-9-23(16)18)21-10-12-22(13-11-21)19(25)15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChIKeySYNUGSXMYUYSQA-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.66
Rot. Bonds2

About 2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 175650790) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID175650790
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccccc1)N1CCN(c2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C19H18N4O2/c24-18-14-17(20-16-8-4-5-9-23(16)18)21-10-12-22(13-11-21)19(25)15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChIKeySYNUGSXMYUYSQA-UHFFFAOYSA-N
XLogP1.66
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrido[1,2-a]pyrimidin-4-one
CID 91642906
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 42895178
2-(1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 82276271
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 31537716
7-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50777945
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342399
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 42888390
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1,4-diazepan-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 154829205
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796
[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 53202521

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 175650790) is 2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1ccccc1)N1CCN(c2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SYNUGSXMYUYSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18-14-17(20-16-8-4-5-9-23(16)18)21-10-12-22(13-11-21)19(25)15-6-2-1-3-7-15/h1-9,14H,10-13H2.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 334.38 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175650790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).