2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C20H22N4O — CID 42888390

IUPAC2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(CN2CCN(c3cc(=O)n4ccccc4n3)CC2)c1
InChIInChI=1S/C20H22N4O/c1-16-5-4-6-17(13-16)15-22-9-11-23(12-10-22)19-14-20(25)24-8-3-2-7-18(24)21-19/h2-8,13-14H,9-12,15H2,1H3
InChIKeyCBEBJECEBAUTJB-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.33
Rot. Bonds3

About 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42888390) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42888390
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(CN2CCN(c3cc(=O)n4ccccc4n3)CC2)c1
InChIInChI=1S/C20H22N4O/c1-16-5-4-6-17(13-16)15-22-9-11-23(12-10-22)19-14-20(25)24-8-3-2-7-18(24)21-19/h2-8,13-14H,9-12,15H2,1H3
InChIKeyCBEBJECEBAUTJB-UHFFFAOYSA-N
XLogP2.33
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 42888390) is 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc(CN2CCN(c3cc(=O)n4ccccc4n3)CC2)c1.
What is the InChIKey of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CBEBJECEBAUTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-5-4-6-17(13-16)15-22-9-11-23(12-10-22)19-14-20(25)24-8-3-2-7-18(24)21-19/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 334.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42888390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).