(2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one

C32H29F3N2O3 — CID 160774827

About (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one

(2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one (PubChem CID 160774827) has the molecular formula C32H29F3N2O3 and a molecular weight of 546.59 g/mol. Its IUPAC name is (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one.

Molecular Properties

• Compound Name: (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
• PubChem CID: 160774827
• Molecular Formula: C32H29F3N2O3
• Molecular Weight: 546.59 g/mol
• Exact Mass: 546.21
• IUPAC Name: (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
• SMILES: CCN1C(=O)[C@@H](CC(=O)c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ccccc32)C[C@@H](c2cc(F)cc(F)c2F)[C@H]1C
• InChI: InChI=1S/C32H29F3N2O3/c1-3-37-17(2)23(24-13-22(33)14-26(34)29(24)35)11-20(30(37)39)12-28(38)18-8-9-19-15-32(16-21(19)10-18)25-6-4-5-7-27(25)36-31(32)40/h4-10,13-14,17,20,23H,3,11-12,15-16H2,1-2H3,(H,36,40)/t17-,20-,23-,32-/m1/s1
• InChIKey: RZUPWCPAQPGRHH-GNDUFGEXSA-N
• XLogP: 5.71
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.59
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?

The IUPAC name of (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one (CID 160774827) is (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one.

What is the SMILES notation for (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?

The canonical SMILES for (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one is CCN1C(=O)[C@@H](CC(=O)c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ccccc32)C[C@@H](c2cc(F)cc(F)c2F)[C@H]1C.

What is the InChIKey of (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?

The InChIKey is RZUPWCPAQPGRHH-GNDUFGEXSA-N. The full InChI is InChI=1S/C32H29F3N2O3/c1-3-37-17(2)23(24-13-22(33)14-26(34)29(24)35)11-20(30(37)39)12-28(38)18-8-9-19-15-32(16-21(19)10-18)25-6-4-5-7-27(25)36-31(32)40/h4-10,13-14,17,20,23H,3,11-12,15-16H2,1-2H3,(H,36,40)/t17-,20-,23-,32-/m1/s1.

What are the key properties of (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?

(2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one has a molecular weight of 546.59 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 160774827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).