N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C32H41F2N3O2 — CID 71127555

About N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 71127555) has the molecular formula C32H41F2N3O2 and a molecular weight of 537.70 g/mol. Its IUPAC name is N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
• PubChem CID: 71127555
• Molecular Formula: C32H41F2N3O2
• Molecular Weight: 537.70 g/mol
• Exact Mass: 537.32
• IUPAC Name: N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
• SMILES: CC(=O)NC1CC2(CCN(C(=O)C3CN(C(C)(C)C)CC3c3ccc(F)cc3F)CC2)c2cc(C)c(C)cc21
• InChI: InChI=1S/C32H41F2N3O2/c1-19-13-24-27(14-20(19)2)32(16-29(24)35-21(3)38)9-11-36(12-10-32)30(39)26-18-37(31(4,5)6)17-25(26)23-8-7-22(33)15-28(23)34/h7-8,13-15,25-26,29H,9-12,16-18H2,1-6H3,(H,35,38)
• InChIKey: DXCFYHSYCUPDPN-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.70
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

The IUPAC name of N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 71127555) is N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

What is the SMILES notation for N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

The canonical SMILES for N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)NC1CC2(CCN(C(=O)C3CN(C(C)(C)C)CC3c3ccc(F)cc3F)CC2)c2cc(C)c(C)cc21.

What is the InChIKey of N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

The InChIKey is DXCFYHSYCUPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41F2N3O2/c1-19-13-24-27(14-20(19)2)32(16-29(24)35-21(3)38)9-11-36(12-10-32)30(39)26-18-37(31(4,5)6)17-25(26)23-8-7-22(33)15-28(23)34/h7-8,13-15,25-26,29H,9-12,16-18H2,1-6H3,(H,35,38).

What are the key properties of N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 537.70 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 71127555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).