N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide

C18H25FN2O2 — CID 128854734

IUPACN-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide
SMILESCc1ccc(F)c(CCNC(=O)N2CCC(O)CC23CCC3)c1
InChIInChI=1S/C18H25FN2O2/c1-13-3-4-16(19)14(11-13)5-9-20-17(23)21-10-6-15(22)12-18(21)7-2-8-18/h3-4,11,15,22H,2,5-10,12H2,1H3,(H,20,23)
InChIKeyATTIQJKMYLIHFT-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.77
Rot. Bonds3

About N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide

N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide (PubChem CID 128854734) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide
PubChem CID128854734
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide
SMILESCc1ccc(F)c(CCNC(=O)N2CCC(O)CC23CCC3)c1
InChIInChI=1S/C18H25FN2O2/c1-13-3-4-16(19)14(11-13)5-9-20-17(23)21-10-6-15(22)12-18(21)7-2-8-18/h3-4,11,15,22H,2,5-10,12H2,1H3,(H,20,23)
InChIKeyATTIQJKMYLIHFT-UHFFFAOYSA-N
XLogP2.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 45875839
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CID 56788233
N-[2-(3,4-difluorophenyl)propyl]-4-methoxypiperidine-1-carboxamide
CID 72116234
(1R*,3S*)-N-(4-fluorobenzyl)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72872231
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108
4-(4-fluorobenzyl)-N-(trans-4-hydroxycyclohexyl)piperidine-1-carboxamide
CID 119069495
N-[2-(3,4-difluorophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 121516894
N-[4-(3,4-difluorophenyl)butyl]-4-methoxy-2-methylpiperidine-1-carboxamide
CID 121581166
4-[(1S)-1-hydroxy-3-phenylpropyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-1-carboxamide
CID 125522857
(3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 126432492
3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 127479475
3-(3,4-difluorophenyl)-N-(2-ethyloxan-4-yl)piperidine-1-carboxamide
CID 132319932

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide?
The IUPAC name of N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide (CID 128854734) is N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide?
The canonical SMILES for N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide is Cc1ccc(F)c(CCNC(=O)N2CCC(O)CC23CCC3)c1.
What is the InChIKey of N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide?
The InChIKey is ATTIQJKMYLIHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13-3-4-16(19)14(11-13)5-9-20-17(23)21-10-6-15(22)12-18(21)7-2-8-18/h3-4,11,15,22H,2,5-10,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide?
N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-5-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide is sourced from PubChem (CID 128854734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).