8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide

C17H21F3N2O2 — CID 128853145

IUPAC8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)N1CCC(O)CC12CCC2
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)14-5-2-1-4-12(14)11-21-15(24)22-9-6-13(23)10-16(22)7-3-8-16/h1-2,4-5,13,23H,3,6-11H2,(H,21,24)
InChIKeyWVBDRWGGKSCDSK-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.29
Rot. Bonds2

About 8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide

8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide (PubChem CID 128853145) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide
PubChem CID128853145
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)N1CCC(O)CC12CCC2
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)14-5-2-1-4-12(14)11-21-15(24)22-9-6-13(23)10-16(22)7-3-8-16/h1-2,4-5,13,23H,3,6-11H2,(H,21,24)
InChIKeyWVBDRWGGKSCDSK-UHFFFAOYSA-N
XLogP3.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-(2-methylbenzyl)piperidine-1-carboxamide
CID 24748434
2-(4-Fluoro-2-methyl-phenyl)-4-hydroxy-piperidine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methylamide
CID 44215809
3-(hydroxymethyl)-N-[3-(trifluoromethyl)benzyl]piperidine-1-carboxamide
CID 110894827
2-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 172433601
(3S)-N-[(1R)-1-(2,3-difluorophenyl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 129429304
(1R*,3S*)-1,3-dihydroxy-N-(4-methylbenzyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 70777875
(1R*,3S*)-N-(4-fluorobenzyl)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72872231
(1R*,3S*)-1-hydroxy-3-(2-hydroxyethoxy)-N-(2-methylbenzyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 72937883
N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 164642522
N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide
CID 128854734
N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 18173931
(2R,4S)-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 24771531

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide?
The IUPAC name of 8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide (CID 128853145) is 8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide.
What is the SMILES notation for 8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide?
The canonical SMILES for 8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide is O=C(NCc1ccccc1C(F)(F)F)N1CCC(O)CC12CCC2.
What is the InChIKey of 8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide?
The InChIKey is WVBDRWGGKSCDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)14-5-2-1-4-12(14)11-21-15(24)22-9-6-13(23)10-16(22)7-3-8-16/h1-2,4-5,13,23H,3,6-11H2,(H,21,24).
What are the key properties of 8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide?
8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide is sourced from PubChem (CID 128853145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).