3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one

C27H29F2N3O3 — CID 17481914

About 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 17481914) has the molecular formula C27H29F2N3O3 and a molecular weight of 481.54 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
• PubChem CID: 17481914
• Molecular Formula: C27H29F2N3O3
• Molecular Weight: 481.54 g/mol
• Exact Mass: 481.22
• IUPAC Name: 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
• SMILES: O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N1CCC(C(=O)N2CCOCC2)CC1
• InChI: InChI=1S/C27H29F2N3O3/c28-20-3-1-18(2-4-20)26-22(23-17-21(29)5-7-24(23)30-26)6-8-25(33)31-11-9-19(10-12-31)27(34)32-13-15-35-16-14-32/h1-5,7,17,19,30H,6,8-16H2
• InChIKey: ACSWFFURSPCJCR-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.54
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?

The IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one (CID 17481914) is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one is O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N1CCC(C(=O)N2CCOCC2)CC1.

What is the InChIKey of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?

The InChIKey is ACSWFFURSPCJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O3/c28-20-3-1-18(2-4-20)26-22(23-17-21(29)5-7-24(23)30-26)6-8-25(33)31-11-9-19(10-12-31)27(34)32-13-15-35-16-14-32/h1-5,7,17,19,30H,6,8-16H2.

What are the key properties of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 481.54 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 17481914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).