1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone

C28H32N4O2 — CID 42787809

About 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone

1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone (PubChem CID 42787809) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone.

Molecular Properties

• Compound Name: 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone
• PubChem CID: 42787809
• Molecular Formula: C28H32N4O2
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.25
• IUPAC Name: 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone
• SMILES: CC1CCN(c2nc(-c3ccccc3)nc3c2CN(C(=O)COCc2ccccc2)CC3)CC1
• InChI: InChI=1S/C28H32N4O2/c1-21-12-15-31(16-13-21)28-24-18-32(26(33)20-34-19-22-8-4-2-5-9-22)17-14-25(24)29-27(30-28)23-10-6-3-7-11-23/h2-11,21H,12-20H2,1H3
• InChIKey: LMCQGQKRCJORGJ-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone?

The IUPAC name of 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone (CID 42787809) is 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone.

What is the SMILES notation for 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone?

The canonical SMILES for 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone is CC1CCN(c2nc(-c3ccccc3)nc3c2CN(C(=O)COCc2ccccc2)CC3)CC1.

What is the InChIKey of 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone?

The InChIKey is LMCQGQKRCJORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-21-12-15-31(16-13-21)28-24-18-32(26(33)20-34-19-22-8-4-2-5-9-22)17-14-25(24)29-27(30-28)23-10-6-3-7-11-23/h2-11,21H,12-20H2,1H3.

What are the key properties of 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone?

1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone has a molecular weight of 456.59 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 42787809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).