(1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C58H72F4N6O3 — CID 159841185

About (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

(1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 159841185) has the molecular formula C58H72F4N6O3 and a molecular weight of 977.24 g/mol. Its IUPAC name is (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

• Compound Name: (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
• PubChem CID: 159841185
• Molecular Formula: C58H72F4N6O3
• Molecular Weight: 977.24 g/mol
• Exact Mass: 976.56
• IUPAC Name: (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
• SMILES: CC(=O)NC1CC2(CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2ccccc21.CC(C)(C)N1C[C@@H](C(=O)N2CCC3(CC2)CC(N)c2ccccc23)[C@H](c2ccc(F)cc2F)C1
• InChI: InChI=1S/C30H37F2N3O2.C28H35F2N3O/c1-19(36)33-27-16-30(25-8-6-5-7-22(25)27)11-13-34(14-12-30)28(37)24-18-35(29(2,3)4)17-23(24)21-10-9-20(31)15-26(21)32;1-27(2,3)33-16-21(19-9-8-18(29)14-24(19)30)22(17-33)26(34)32-12-10-28(11-13-32)15-25(31)20-6-4-5-7-23(20)28/h5-10,15,23-24,27H,11-14,16-18H2,1-4H3,(H,33,36);4-9,14,21-22,25H,10-13,15-17,31H2,1-3H3/t23-,24+,27?;21-,22+,25?/m00/s1
• InChIKey: NORSISQYYKXYDY-LKFZQBRPSA-N
• XLogP: 9.66
• TPSA: 102.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.24
LogP ≤ 5	9.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

The IUPAC name of (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 159841185) is (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

What is the SMILES notation for (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

The canonical SMILES for (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)NC1CC2(CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2ccccc21.CC(C)(C)N1C[C@@H](C(=O)N2CCC3(CC2)CC(N)c2ccccc23)[C@H](c2ccc(F)cc2F)C1.

What is the InChIKey of (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

The InChIKey is NORSISQYYKXYDY-LKFZQBRPSA-N. The full InChI is InChI=1S/C30H37F2N3O2.C28H35F2N3O/c1-19(36)33-27-16-30(25-8-6-5-7-22(25)27)11-13-34(14-12-30)28(37)24-18-35(29(2,3)4)17-23(24)21-10-9-20(31)15-26(21)32;1-27(2,3)33-16-21(19-9-8-18(29)14-24(19)30)22(17-33)26(34)32-12-10-28(11-13-32)15-25(31)20-6-4-5-7-23(20)28/h5-10,15,23-24,27H,11-14,16-18H2,1-4H3,(H,33,36);4-9,14,21-22,25H,10-13,15-17,31H2,1-3H3/t23-,24+,27?;21-,22+,25?/m00/s1.

What are the key properties of (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

(1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 977.24 g/mol, XLogP of 9.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 159841185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).