2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide

C25H32FN3O — CID 69265768

IUPAC2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(Cc1ccccc1)CN1CCC2(CC1)CN(C)c1ccc(F)cc12
InChIInChI=1S/C25H32FN3O/c1-27(2)24(30)20(15-19-7-5-4-6-8-19)17-29-13-11-25(12-14-29)18-28(3)23-10-9-21(26)16-22(23)25/h4-10,16,20H,11-15,17-18H2,1-3H3
InChIKeyPORXBQOJEOZIDI-UHFFFAOYSA-N
MW409.55 g/mol
LogP3.56
Rot. Bonds5

About 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide

2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide (PubChem CID 69265768) has the molecular formula C25H32FN3O and a molecular weight of 409.55 g/mol. Its IUPAC name is 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
PubChem CID69265768
Molecular FormulaC25H32FN3O
Molecular Weight409.55 g/mol
Exact Mass409.25
IUPAC Name2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(Cc1ccccc1)CN1CCC2(CC1)CN(C)c1ccc(F)cc12
InChIInChI=1S/C25H32FN3O/c1-27(2)24(30)20(15-19-7-5-4-6-8-19)17-29-13-11-25(12-14-29)18-28(3)23-10-9-21(26)16-22(23)25/h4-10,16,20H,11-15,17-18H2,1-3H3
InChIKeyPORXBQOJEOZIDI-UHFFFAOYSA-N
XLogP3.56
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoate
CID 69264401
2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69265904
1-(1'-benzyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-3,3-dimethylbutan-1-one
CID 23760772
(2,2,2-trifluoroacetyl) 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoate
CID 87758905
2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 11575145
5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
CID 149159822
2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide
CID 11509941
ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate
CID 69266254
4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-methyl-N-(2-phenylethyl)butanamide
CID 59763412
[5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23937588
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69263934
2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide
CID 11502214

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide (CID 69265768) is 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide is CN(C)C(=O)C(Cc1ccccc1)CN1CCC2(CC1)CN(C)c1ccc(F)cc12.
What is the InChIKey of 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
The InChIKey is PORXBQOJEOZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O/c1-27(2)24(30)20(15-19-7-5-4-6-8-19)17-29-13-11-25(12-14-29)18-28(3)23-10-9-21(26)16-22(23)25/h4-10,16,20H,11-15,17-18H2,1-3H3.
What are the key properties of 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide has a molecular weight of 409.55 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 69265768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).