N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide

C33H43F2N3O2 — CID 58692357

About N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide

N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide (PubChem CID 58692357) has the molecular formula C33H43F2N3O2 and a molecular weight of 551.72 g/mol. Its IUPAC name is N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide
• PubChem CID: 58692357
• Molecular Formula: C33H43F2N3O2
• Molecular Weight: 551.72 g/mol
• Exact Mass: 551.33
• IUPAC Name: N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide
• SMILES: CC(=O)N(C(C)C)[C@@H]1Cc2ccccc2C12CCN(C(=O)C1CN(C(C)(C)C)C[C@H]1c1ccc(F)cc1F)CC2
• InChI: InChI=1S/C33H43F2N3O2/c1-21(2)38(22(3)39)30-17-23-9-7-8-10-28(23)33(30)13-15-36(16-14-33)31(40)27-20-37(32(4,5)6)19-26(27)25-12-11-24(34)18-29(25)35/h7-12,18,21,26-27,30H,13-17,19-20H2,1-6H3/t26-,27?,30+/m0/s1
• InChIKey: CJIKTCOAEURSJE-ODZNMXLQSA-N
• XLogP: 5.52
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.72
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide?

The IUPAC name of N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide (CID 58692357) is N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide?

The canonical SMILES for N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide is CC(=O)N(C(C)C)[C@@H]1Cc2ccccc2C12CCN(C(=O)C1CN(C(C)(C)C)C[C@H]1c1ccc(F)cc1F)CC2.

What is the InChIKey of N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide?

The InChIKey is CJIKTCOAEURSJE-ODZNMXLQSA-N. The full InChI is InChI=1S/C33H43F2N3O2/c1-21(2)38(22(3)39)30-17-23-9-7-8-10-28(23)33(30)13-15-36(16-14-33)31(40)27-20-37(32(4,5)6)19-26(27)25-12-11-24(34)18-29(25)35/h7-12,18,21,26-27,30H,13-17,19-20H2,1-6H3/t26-,27?,30+/m0/s1.

What are the key properties of N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide?

N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide has a molecular weight of 551.72 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 58692357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).