1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone

C23H28N4O2 — CID 110241475

About 1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone

1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone (PubChem CID 110241475) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone
• PubChem CID: 110241475
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone
• SMILES: CC(=O)N1CCCC(c2ncc3c(n2)CCN(C(=O)Cc2cccc(C)c2)C3)C1
• InChI: InChI=1S/C23H28N4O2/c1-16-5-3-6-18(11-16)12-22(29)27-10-8-21-20(15-27)13-24-23(25-21)19-7-4-9-26(14-19)17(2)28/h3,5-6,11,13,19H,4,7-10,12,14-15H2,1-2H3
• InChIKey: AADAMBQNOGHELU-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone (CID 110241475) is 1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone.

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

The canonical SMILES for 1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone is CC(=O)N1CCCC(c2ncc3c(n2)CCN(C(=O)Cc2cccc(C)c2)C3)C1.

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

The InChIKey is AADAMBQNOGHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-5-3-6-18(11-16)12-22(29)27-10-8-21-20(15-27)13-24-23(25-21)19-7-4-9-26(14-19)17(2)28/h3,5-6,11,13,19H,4,7-10,12,14-15H2,1-2H3.

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

1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 392.50 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 110241475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).