2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide

C23H30F3N3O2 — CID 169216124

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(CN1CC2(CCC(C(=O)Nc3cc(F)cc(C(F)F)c3)CC2)C1)NC1CCCC1
InChIInChI=1S/C23H30F3N3O2/c24-17-9-16(21(25)26)10-19(11-17)28-22(31)15-5-7-23(8-6-15)13-29(14-23)12-20(30)27-18-3-1-2-4-18/h9-11,15,18,21H,1-8,12-14H2,(H,27,30)(H,28,31)
InChIKeyXPCHNMXMSDOEEC-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.25
Rot. Bonds6

About 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide

2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 169216124) has the molecular formula C23H30F3N3O2 and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
PubChem CID169216124
Molecular FormulaC23H30F3N3O2
Molecular Weight437.51 g/mol
Exact Mass437.23
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(CN1CC2(CCC(C(=O)Nc3cc(F)cc(C(F)F)c3)CC2)C1)NC1CCCC1
InChIInChI=1S/C23H30F3N3O2/c24-17-9-16(21(25)26)10-19(11-17)28-22(31)15-5-7-23(8-6-15)13-29(14-23)12-20(30)27-18-3-1-2-4-18/h9-11,15,18,21H,1-8,12-14H2,(H,27,30)(H,28,31)
InChIKeyXPCHNMXMSDOEEC-UHFFFAOYSA-N
XLogP4.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216238
N-(3-chloro-5-fluorophenyl)-2-[2-(cyclopentylamino)-2-oxoethyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216766
2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216210
N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216205
2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide
CID 169216848
2-[(1-cyanocyclopropyl)methyl]-N-[3-(difluoromethoxy)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216132
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
N-[3-(difluoromethyl)-5-fluorophenyl]formamide;2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)-1-morpholin-4-ylethanone
CID 169216063
N-cyclopentyl-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909326
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide
CID 124505704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide (CID 169216124) is 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide is O=C(CN1CC2(CCC(C(=O)Nc3cc(F)cc(C(F)F)c3)CC2)C1)NC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is XPCHNMXMSDOEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N3O2/c24-17-9-16(21(25)26)10-19(11-17)28-22(31)15-5-7-23(8-6-15)13-29(14-23)12-20(30)27-18-3-1-2-4-18/h9-11,15,18,21H,1-8,12-14H2,(H,27,30)(H,28,31).
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide?
2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 169216124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).