3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C20H22N4O3 — CID 71711610

IUPAC3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cnc3cc(N4CCNCC4)ccn3c2=O)cc1OC
InChIInChI=1S/C20H22N4O3/c1-26-17-4-3-14(11-18(17)27-2)16-13-22-19-12-15(5-8-24(19)20(16)25)23-9-6-21-7-10-23/h3-5,8,11-13,21H,6-7,9-10H2,1-2H3
InChIKeyJIMCBMLJOQCCSI-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.79
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 71711610) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID71711610
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cnc3cc(N4CCNCC4)ccn3c2=O)cc1OC
InChIInChI=1S/C20H22N4O3/c1-26-17-4-3-14(11-18(17)27-2)16-13-22-19-12-15(5-8-24(19)20(16)25)23-9-6-21-7-10-23/h3-5,8,11-13,21H,6-7,9-10H2,1-2H3
InChIKeyJIMCBMLJOQCCSI-UHFFFAOYSA-N
XLogP1.79
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 71711610) is 3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cnc3cc(N4CCNCC4)ccn3c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JIMCBMLJOQCCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-17-4-3-14(11-18(17)27-2)16-13-22-19-12-15(5-8-24(19)20(16)25)23-9-6-21-7-10-23/h3-5,8,11-13,21H,6-7,9-10H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 366.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-8-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71711610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).