(2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C34H35F7N2O3 — CID 143583524

About (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 143583524) has the molecular formula C34H35F7N2O3 and a molecular weight of 652.65 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

• Compound Name: (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
• PubChem CID: 143583524
• Molecular Formula: C34H35F7N2O3
• Molecular Weight: 652.65 g/mol
• Exact Mass: 652.25
• IUPAC Name: (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
• SMILES: C[C@@H](O[C@H]1CN2C(=O)CC(C3CCN(C4=CC(=O)CC4)CC3)CC2C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C34H35F7N2O3/c1-19(22-12-24(33(36,37)38)16-25(13-22)34(39,40)41)46-30-18-43-29(32(30)21-2-4-26(35)5-3-21)14-23(15-31(43)45)20-8-10-42(11-9-20)27-6-7-28(44)17-27/h2-5,12-13,16-17,19-20,23,29-30,32H,6-11,14-15,18H2,1H3/t19-,23?,29?,30+,32?/m1/s1
• InChIKey: JOTVFNXACYGMTD-UQVUBQGPSA-N
• XLogP: 7.67
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.65
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?

The IUPAC name of (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 143583524) is (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

What is the SMILES notation for (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?

The canonical SMILES for (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is C[C@@H](O[C@H]1CN2C(=O)CC(C3CCN(C4=CC(=O)CC4)CC3)CC2C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?

The InChIKey is JOTVFNXACYGMTD-UQVUBQGPSA-N. The full InChI is InChI=1S/C34H35F7N2O3/c1-19(22-12-24(33(36,37)38)16-25(13-22)34(39,40)41)46-30-18-43-29(32(30)21-2-4-26(35)5-3-21)14-23(15-31(43)45)20-8-10-42(11-9-20)27-6-7-28(44)17-27/h2-5,12-13,16-17,19-20,23,29-30,32H,6-11,14-15,18H2,1H3/t19-,23?,29?,30+,32?/m1/s1.

What are the key properties of (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?

(2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 652.65 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 143583524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).