6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H29FN4O3 — CID 136681365

About 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136681365) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136681365
• Molecular Formula: C24H29FN4O3
• Molecular Weight: 440.52 g/mol
• Exact Mass: 440.22
• IUPAC Name: 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=C(c1ccc(F)cc1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1
• InChI: InChI=1S/C24H29FN4O3/c25-18-3-1-17(2-4-18)24(31)29-12-7-21-20(15-29)23(30)27-22(26-21)16-5-10-28(11-6-16)19-8-13-32-14-9-19/h1-4,16,19H,5-15H2,(H,26,27,30)
• InChIKey: MNXUZKXWBKVAIO-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.52
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136681365) is 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(c1ccc(F)cc1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1.

What is the InChIKey of 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is MNXUZKXWBKVAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c25-18-3-1-17(2-4-18)24(31)29-12-7-21-20(15-29)23(30)27-22(26-21)16-5-10-28(11-6-16)19-8-13-32-14-9-19/h1-4,16,19H,5-15H2,(H,26,27,30).

What are the key properties of 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 440.52 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136681365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).