1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C29H32FN3O2 — CID 23736691

IUPAC1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3(CCN(Cc4cc(C)cc(C)c4)CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C29H32FN3O2/c1-20-14-21(2)16-22(15-20)18-32-12-10-29(11-13-32)19-33(27-9-4-23(30)17-26(27)29)28(34)31-24-5-7-25(35-3)8-6-24/h4-9,14-17H,10-13,18-19H2,1-3H3,(H,31,34)
InChIKeyNDSNTTWGCQDQQW-UHFFFAOYSA-N
MW473.59 g/mol
LogP6.04
Rot. Bonds4

About 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23736691) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23736691
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3(CCN(Cc4cc(C)cc(C)c4)CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C29H32FN3O2/c1-20-14-21(2)16-22(15-20)18-32-12-10-29(11-13-32)19-33(27-9-4-23(30)17-26(27)29)28(34)31-24-5-7-25(35-3)8-6-24/h4-9,14-17H,10-13,18-19H2,1-3H3,(H,31,34)
InChIKeyNDSNTTWGCQDQQW-UHFFFAOYSA-N
XLogP6.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide with MolForge

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Related Compounds

methyl 4-[[5-fluoro-1-[(4-methylphenyl)carbamoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23936369
methyl 4-[[1-[(4-chlorophenyl)carbamoyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23764355
1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23959515
5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23932409
N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854299
1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23798613
1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59004167
N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23827573
N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23997128
5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23876609
N-(3,4-dichlorophenyl)-5-fluoro-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23735545
N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59004048

Frequently Asked Questions

What is the IUPAC name of 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23736691) is 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is COc1ccc(NC(=O)N2CC3(CCN(Cc4cc(C)cc(C)c4)CC3)c3cc(F)ccc32)cc1.
What is the InChIKey of 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is NDSNTTWGCQDQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c1-20-14-21(2)16-22(15-20)18-32-12-10-29(11-13-32)19-33(27-9-4-23(30)17-26(27)29)28(34)31-24-5-7-25(35-3)8-6-24/h4-9,14-17H,10-13,18-19H2,1-3H3,(H,31,34).
What are the key properties of 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 473.59 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23736691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).