3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C22H28Cl2N4O — CID 50943496

About 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 50943496) has the molecular formula C22H28Cl2N4O and a molecular weight of 435.40 g/mol. Its IUPAC name is 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 50943496
• Molecular Formula: C22H28Cl2N4O
• Molecular Weight: 435.40 g/mol
• Exact Mass: 434.16
• IUPAC Name: 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
• SMILES: Cc1nc2n(c(=O)c1CCCN1CCN(c3cccc(Cl)c3Cl)CC1)CCCC2
• InChI: InChI=1S/C22H28Cl2N4O/c1-16-17(22(29)28-11-3-2-9-20(28)25-16)6-5-10-26-12-14-27(15-13-26)19-8-4-7-18(23)21(19)24/h4,7-8H,2-3,5-6,9-15H2,1H3
• InChIKey: HQCOBAMOFATZPO-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 41.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.40
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 50943496) is 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1CCCN1CCN(c3cccc(Cl)c3Cl)CC1)CCCC2.

What is the InChIKey of 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?

The InChIKey is HQCOBAMOFATZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N4O/c1-16-17(22(29)28-11-3-2-9-20(28)25-16)6-5-10-26-12-14-27(15-13-26)19-8-4-7-18(23)21(19)24/h4,7-8H,2-3,5-6,9-15H2,1H3.

What are the key properties of 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?

3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 435.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 50943496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).