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

C23H28N4O2 — CID 110243565

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

1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 110243565) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 110243565
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
• SMILES: CC(=O)N1CCc2nc(C3CCCN(C(=O)CCc4ccccc4)C3)ncc2C1
• InChI: InChI=1S/C23H28N4O2/c1-17(28)26-13-11-21-20(16-26)14-24-23(25-21)19-8-5-12-27(15-19)22(29)10-9-18-6-3-2-4-7-18/h2-4,6-7,14,19H,5,8-13,15-16H2,1H3
• InChIKey: DIUFQJQBJYZHSC-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (CID 110243565) is 1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.

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

The canonical SMILES for 1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one is CC(=O)N1CCc2nc(C3CCCN(C(=O)CCc4ccccc4)C3)ncc2C1.

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

The InChIKey is DIUFQJQBJYZHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17(28)26-13-11-21-20(16-26)14-24-23(25-21)19-8-5-12-27(15-19)22(29)10-9-18-6-3-2-4-7-18/h2-4,6-7,14,19H,5,8-13,15-16H2,1H3.

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

1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 392.50 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110243565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).