N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide

C32H39F2N3O3 — CID 11466997

IUPACN-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Cc2cc(C(C)=O)ccc2C12CCN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1c1ccc(F)cc1F)CC2
InChIInChI=1S/C32H39F2N3O3/c1-19(38)21-6-9-27-22(14-21)15-29(35-20(2)39)32(27)10-12-36(13-11-32)30(40)26-18-37(31(3,4)5)17-25(26)24-8-7-23(33)16-28(24)34/h6-9,14,16,25-26,29H,10-13,15,17-18H2,1-5H3,(H,35,39)/t25-,26+,29+/m0/s1
InChIKeyIGNNULDCYNUSSD-IWVFXYMLSA-N
MW551.68 g/mol
LogP4.60
Rot. Bonds4

About N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide

N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide (PubChem CID 11466997) has the molecular formula C32H39F2N3O3 and a molecular weight of 551.68 g/mol. Its IUPAC name is N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide
PubChem CID11466997
Molecular FormulaC32H39F2N3O3
Molecular Weight551.68 g/mol
Exact Mass551.30
IUPAC NameN-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Cc2cc(C(C)=O)ccc2C12CCN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1c1ccc(F)cc1F)CC2
InChIInChI=1S/C32H39F2N3O3/c1-19(38)21-6-9-27-22(14-21)15-29(35-20(2)39)32(27)10-12-36(13-11-32)30(40)26-18-37(31(3,4)5)17-25(26)24-8-7-23(33)16-28(24)34/h6-9,14,16,25-26,29H,10-13,15,17-18H2,1-5H3,(H,35,39)/t25-,26+,29+/m0/s1
InChIKeyIGNNULDCYNUSSD-IWVFXYMLSA-N
XLogP4.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.68
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide?
The IUPAC name of N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide (CID 11466997) is N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide?
The canonical SMILES for N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide is CC(=O)N[C@@H]1Cc2cc(C(C)=O)ccc2C12CCN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1c1ccc(F)cc1F)CC2.
What is the InChIKey of N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide?
The InChIKey is IGNNULDCYNUSSD-IWVFXYMLSA-N. The full InChI is InChI=1S/C32H39F2N3O3/c1-19(38)21-6-9-27-22(14-21)15-29(35-20(2)39)32(27)10-12-36(13-11-32)30(40)26-18-37(31(3,4)5)17-25(26)24-8-7-23(33)16-28(24)34/h6-9,14,16,25-26,29H,10-13,15,17-18H2,1-5H3,(H,35,39)/t25-,26+,29+/m0/s1.
What are the key properties of N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide?
N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide has a molecular weight of 551.68 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-acetyl-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide is sourced from PubChem (CID 11466997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).