(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

C30H37F2N3O2 — CID 11420834

About (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 11420834) has the molecular formula C30H37F2N3O2 and a molecular weight of 509.64 g/mol. Its IUPAC name is (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
• PubChem CID: 11420834
• Molecular Formula: C30H37F2N3O2
• Molecular Weight: 509.64 g/mol
• Exact Mass: 509.29
• IUPAC Name: (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
• SMILES: CNC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2ccccc21
• InChI: InChI=1S/C30H37F2N3O2/c1-29(2,3)35-17-23(21-10-9-19(31)15-26(21)32)24(18-35)28(37)34-13-11-30(12-14-34)16-22(27(36)33-4)20-7-5-6-8-25(20)30/h5-10,15,22-24H,11-14,16-18H2,1-4H3,(H,33,36)/t22-,23+,24-/m1/s1
• InChIKey: FKFGBZGLERAGRK-TZRRMPRUSA-N
• XLogP: 4.57
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.64
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

The IUPAC name of (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 11420834) is (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

What is the SMILES notation for (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

The canonical SMILES for (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is CNC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2ccccc21.

What is the InChIKey of (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

The InChIKey is FKFGBZGLERAGRK-TZRRMPRUSA-N. The full InChI is InChI=1S/C30H37F2N3O2/c1-29(2,3)35-17-23(21-10-9-19(31)15-26(21)32)24(18-35)28(37)34-13-11-30(12-14-34)16-22(27(36)33-4)20-7-5-6-8-25(20)30/h5-10,15,22-24H,11-14,16-18H2,1-4H3,(H,33,36)/t22-,23+,24-/m1/s1.

What are the key properties of (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?

(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 509.64 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 11420834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).