8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide

C28H32FN3O2 — CID 171675383

IUPAC8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCC3(CCN(C(=O)c4cc5cc(F)ccc5[nH]4)CC3)C2)cc1
InChIInChI=1S/C28H32FN3O2/c1-18-3-5-20(6-4-18)19(2)30-26(33)21-9-10-28(17-21)11-13-32(14-12-28)27(34)25-16-22-15-23(29)7-8-24(22)31-25/h3-8,15-16,19,21,31H,9-14,17H2,1-2H3,(H,30,33)
InChIKeyWRGAXTSSMQIZHW-UHFFFAOYSA-N
MW461.58 g/mol
LogP5.52
Rot. Bonds4

About 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide

8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 171675383) has the molecular formula C28H32FN3O2 and a molecular weight of 461.58 g/mol. Its IUPAC name is 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID171675383
Molecular FormulaC28H32FN3O2
Molecular Weight461.58 g/mol
Exact Mass461.25
IUPAC Name8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCC3(CCN(C(=O)c4cc5cc(F)ccc5[nH]4)CC3)C2)cc1
InChIInChI=1S/C28H32FN3O2/c1-18-3-5-20(6-4-18)19(2)30-26(33)21-9-10-28(17-21)11-13-32(14-12-28)27(34)25-16-22-15-23(29)7-8-24(22)31-25/h3-8,15-16,19,21,31H,9-14,17H2,1-2H3,(H,30,33)
InChIKeyWRGAXTSSMQIZHW-UHFFFAOYSA-N
XLogP5.52
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.58
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide with MolForge

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Related Compounds

8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide
CID 171675378
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 56886344
(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 94024103
(2S)-1-acetyl-4-(5-fluoro-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125014734
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086124
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
CID 11538675

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide (CID 171675383) is 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide is Cc1ccc(C(C)NC(=O)C2CCC3(CCN(C(=O)c4cc5cc(F)ccc5[nH]4)CC3)C2)cc1.
What is the InChIKey of 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is WRGAXTSSMQIZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O2/c1-18-3-5-20(6-4-18)19(2)30-26(33)21-9-10-28(17-21)11-13-32(14-12-28)27(34)25-16-22-15-23(29)7-8-24(22)31-25/h3-8,15-16,19,21,31H,9-14,17H2,1-2H3,(H,30,33).
What are the key properties of 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide?
8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 461.58 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 171675383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).