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

C20H20N4O2 — CID 16620986

IUPAC3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N4O2/c25-19(17-14-21-18-8-4-5-9-24(18)20(17)26)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyQVFIICJQUGNGRV-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.65
Rot. Bonds3

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

3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 16620986) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID16620986
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N4O2/c25-19(17-14-21-18-8-4-5-9-24(18)20(17)26)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyQVFIICJQUGNGRV-UHFFFAOYSA-N
XLogP1.65
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.65
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
ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
CID 16614782
3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46471244
3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 42937784
3-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 138808537
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
(2-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571769
5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648682
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
3-[6-(hydroxymethyl)-1,4-oxazepane-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 70734317

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 16620986) is 3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QVFIICJQUGNGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(17-14-21-18-8-4-5-9-24(18)20(17)26)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2.
What are the key properties of 3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 348.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16620986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).