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

C21H19N3O3 — CID 42937784

IUPAC3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C21H19N3O3/c25-19(15-6-2-1-3-7-15)16-9-12-23(13-10-16)20(26)17-14-22-18-8-4-5-11-24(18)21(17)27/h1-8,11,14,16H,9-10,12-13H2
InChIKeyKKLBPMGBMJJFAV-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.43
Rot. Bonds3

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

3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42937784) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID42937784
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C21H19N3O3/c25-19(15-6-2-1-3-7-15)16-9-12-23(13-10-16)20(26)17-14-22-18-8-4-5-11-24(18)21(17)27/h1-8,11,14,16H,9-10,12-13H2
InChIKeyKKLBPMGBMJJFAV-UHFFFAOYSA-N
XLogP2.43
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46472728
3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986
3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 70743583
3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46471244
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
CID 16614782
3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 92839895
3-(3-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119580673
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-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806
3-[(3aR,7S,7aS)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 162628912

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 42937784) is 3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1ccccc1)C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1.
What is the InChIKey of 3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KKLBPMGBMJJFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-19(15-6-2-1-3-7-15)16-9-12-23(13-10-16)20(26)17-14-22-18-8-4-5-11-24(18)21(17)27/h1-8,11,14,16H,9-10,12-13H2.
What are the key properties of 3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 361.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42937784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).