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

C21H23FN4O2 — CID 92549000

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

1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 92549000) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 92549000
• Molecular Formula: C21H23FN4O2
• Molecular Weight: 382.44 g/mol
• Exact Mass: 382.18
• IUPAC Name: 1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)c2cccc(F)c2)C3)CC1
• InChI: InChI=1S/C21H23FN4O2/c1-14(27)25-8-5-15(6-9-25)20-23-12-17-13-26(10-7-19(17)24-20)21(28)16-3-2-4-18(22)11-16/h2-4,11-12,15H,5-10,13H2,1H3
• InChIKey: CDGVCXUTHPBATI-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.44
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 92549000) is 1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)c2cccc(F)c2)C3)CC1.

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

The InChIKey is CDGVCXUTHPBATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14(27)25-8-5-15(6-9-25)20-23-12-17-13-26(10-7-19(17)24-20)21(28)16-3-2-4-18(22)11-16/h2-4,11-12,15H,5-10,13H2,1H3.

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

1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 382.44 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(3-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92549000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).