2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide

C25H29F2N3O3 — CID 58948214

IUPAC2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(Cc1cc(O)ccc1F)CN1CCC2(CC1)C(=O)N(C)c1ccc(F)cc12
InChIInChI=1S/C25H29F2N3O3/c1-28(2)23(32)17(12-16-13-19(31)5-6-21(16)27)15-30-10-8-25(9-11-30)20-14-18(26)4-7-22(20)29(3)24(25)33/h4-7,13-14,17,31H,8-12,15H2,1-3H3
InChIKeyGAKGFUNXINBIPV-UHFFFAOYSA-N
MW457.52 g/mol
LogP2.93
Rot. Bonds5

About 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide

2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide (PubChem CID 58948214) has the molecular formula C25H29F2N3O3 and a molecular weight of 457.52 g/mol. Its IUPAC name is 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
PubChem CID58948214
Molecular FormulaC25H29F2N3O3
Molecular Weight457.52 g/mol
Exact Mass457.22
IUPAC Name2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(Cc1cc(O)ccc1F)CN1CCC2(CC1)C(=O)N(C)c1ccc(F)cc12
InChIInChI=1S/C25H29F2N3O3/c1-28(2)23(32)17(12-16-13-19(31)5-6-21(16)27)15-30-10-8-25(9-11-30)20-14-18(26)4-7-22(20)29(3)24(25)33/h4-7,13-14,17,31H,8-12,15H2,1-3H3
InChIKeyGAKGFUNXINBIPV-UHFFFAOYSA-N
XLogP2.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide 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 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide (CID 58948214) is 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide is CN(C)C(=O)C(Cc1cc(O)ccc1F)CN1CCC2(CC1)C(=O)N(C)c1ccc(F)cc12.
What is the InChIKey of 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
The InChIKey is GAKGFUNXINBIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O3/c1-28(2)23(32)17(12-16-13-19(31)5-6-21(16)27)15-30-10-8-25(9-11-30)20-14-18(26)4-7-22(20)29(3)24(25)33/h4-7,13-14,17,31H,8-12,15H2,1-3H3.
What are the key properties of 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide has a molecular weight of 457.52 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 58948214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).