N-[6-acetyl-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

C35H45F2N3O3 — CID 71127768

About N-[6-acetyl-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-[6-acetyl-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 71127768) has the molecular formula C35H45F2N3O3 and a molecular weight of 593.76 g/mol. Its IUPAC name is N-[6-acetyl-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-[6-acetyl-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: 71127768
• Molecular Formula: C35H45F2N3O3
• Molecular Weight: 593.76 g/mol
• Exact Mass: 593.34
• IUPAC Name: N-[6-acetyl-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)c1ccc2c(c1)CC(N(C(C)=O)C(C)C)C21CCN(C(=O)C2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1
• InChI: InChI=1S/C35H45F2N3O3/c1-21(2)40(23(4)42)32-17-25-16-24(22(3)41)8-11-30(25)35(32)12-14-38(15-13-35)33(43)29-20-39(34(5,6)7)19-28(29)27-10-9-26(36)18-31(27)37/h8-11,16,18,21,28-29,32H,12-15,17,19-20H2,1-7H3/t28-,29?,32?/m0/s1
• InChIKey: OCZRZBSXWBELPC-SLIGCLJVSA-N
• XLogP: 5.72
• TPSA: 60.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.76
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-acetyl-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-[6-acetyl-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 71127768) is N-[6-acetyl-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-[6-acetyl-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-[6-acetyl-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)c1ccc2c(c1)CC(N(C(C)=O)C(C)C)C21CCN(C(=O)C2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1.

What is the InChIKey of N-[6-acetyl-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 OCZRZBSXWBELPC-SLIGCLJVSA-N. The full InChI is InChI=1S/C35H45F2N3O3/c1-21(2)40(23(4)42)32-17-25-16-24(22(3)41)8-11-30(25)35(32)12-14-38(15-13-35)33(43)29-20-39(34(5,6)7)19-28(29)27-10-9-26(36)18-31(27)37/h8-11,16,18,21,28-29,32H,12-15,17,19-20H2,1-7H3/t28-,29?,32?/m0/s1.

What are the key properties of N-[6-acetyl-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-[6-acetyl-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 593.76 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-acetyl-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 71127768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).