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

C19H18N4O3 — CID 46471244

IUPAC3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H18N4O3/c24-16-6-2-1-5-15(16)21-9-11-22(12-10-21)18(25)14-13-20-17-7-3-4-8-23(17)19(14)26/h1-8,13,24H,9-12H2
InChIKeyCGFLGZYZEAIAEI-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.36
Rot. Bonds2

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

3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 46471244) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID46471244
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H18N4O3/c24-16-6-2-1-5-15(16)21-9-11-22(12-10-21)18(25)14-13-20-17-7-3-4-8-23(17)19(14)26/h1-8,13,24H,9-12H2
InChIKeyCGFLGZYZEAIAEI-UHFFFAOYSA-N
XLogP1.36
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46472728
ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
CID 16614782
3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986
3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 56702441
3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 42937784
2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86892651
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
3-(3-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119580673
3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 70743583
2-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol
CID 71929727
3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 92839895
3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 46471244) is 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CGFLGZYZEAIAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-16-6-2-1-5-15(16)21-9-11-22(12-10-21)18(25)14-13-20-17-7-3-4-8-23(17)19(14)26/h1-8,13,24H,9-12H2.
What are the key properties of 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 350.38 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46471244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).