3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one

C23H30N4O2 — CID 92609091

About 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 92609091) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
• PubChem CID: 92609091
• Molecular Formula: C23H30N4O2
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.24
• IUPAC Name: 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
• SMILES: COc1ccc(CCC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1
• InChI: InChI=1S/C23H30N4O2/c1-26-12-11-21-19(16-26)15-24-23(25-21)18-9-13-27(14-10-18)22(28)8-5-17-3-6-20(29-2)7-4-17/h3-4,6-7,15,18H,5,8-14,16H2,1-2H3
• InChIKey: KKLFLVATJPLTDZ-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one (CID 92609091) is 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?

The InChIKey is KKLFLVATJPLTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-26-12-11-21-19(16-26)15-24-23(25-21)18-9-13-27(14-10-18)22(28)8-5-17-3-6-20(29-2)7-4-17/h3-4,6-7,15,18H,5,8-14,16H2,1-2H3.

What are the key properties of 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?

3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 394.52 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92609091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).