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

C20H30N4O2 — CID 110240662

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

1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one (PubChem CID 110240662) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

• Compound Name: 1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
• PubChem CID: 110240662
• Molecular Formula: C20H30N4O2
• Molecular Weight: 358.49 g/mol
• Exact Mass: 358.24
• IUPAC Name: 1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
• SMILES: CC(=O)N1CCCCC1c1ncc2c(n1)CCN(C(=O)CC(C)(C)C)C2
• InChI: InChI=1S/C20H30N4O2/c1-14(25)24-9-6-5-7-17(24)19-21-12-15-13-23(10-8-16(15)22-19)18(26)11-20(2,3)4/h12,17H,5-11,13H2,1-4H3
• InChIKey: YFZQYLUJHHJTIA-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.49
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one (CID 110240662) is 1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one.

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

The canonical SMILES for 1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one is CC(=O)N1CCCCC1c1ncc2c(n1)CCN(C(=O)CC(C)(C)C)C2.

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

The InChIKey is YFZQYLUJHHJTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14(25)24-9-6-5-7-17(24)19-21-12-15-13-23(10-8-16(15)22-19)18(26)11-20(2,3)4/h12,17H,5-11,13H2,1-4H3.

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

1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one has a molecular weight of 358.49 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 110240662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).