[7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C22H29F2NO3 — CID 164710032

IUPAC[7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(Cc4cccc(OC(F)F)c4)CC3)C2)C1
InChIInChI=1S/C22H29F2NO3/c1-21(27)11-17(12-21)19(26)25-13-22(14-25)7-5-15(6-8-22)9-16-3-2-4-18(10-16)28-20(23)24/h2-4,10,15,17,20,27H,5-9,11-14H2,1H3
InChIKeyKMFHKIJYVAUXTC-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.01
Rot. Bonds5

About [7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710032) has the molecular formula C22H29F2NO3 and a molecular weight of 393.47 g/mol. Its IUPAC name is [7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710032
Molecular FormulaC22H29F2NO3
Molecular Weight393.47 g/mol
Exact Mass393.21
IUPAC Name[7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(Cc4cccc(OC(F)F)c4)CC3)C2)C1
InChIInChI=1S/C22H29F2NO3/c1-21(27)11-17(12-21)19(26)25-13-22(14-25)7-5-15(6-8-22)9-16-3-2-4-18(10-16)28-20(23)24/h2-4,10,15,17,20,27H,5-9,11-14H2,1H3
InChIKeyKMFHKIJYVAUXTC-UHFFFAOYSA-N
XLogP4.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710438
(3-hydroxy-3-methylcyclobutyl)-[6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710119
(3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710264
[6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710080
[7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710459
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710036
[7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710364
(3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 164709989
[4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 170373442
[7-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710149
[7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710176

Frequently Asked Questions

What is the IUPAC name of [7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710032) is [7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC1(O)CC(C(=O)N2CC3(CCC(Cc4cccc(OC(F)F)c4)CC3)C2)C1.
What is the InChIKey of [7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is KMFHKIJYVAUXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2NO3/c1-21(27)11-17(12-21)19(26)25-13-22(14-25)7-5-15(6-8-22)9-16-3-2-4-18(10-16)28-20(23)24/h2-4,10,15,17,20,27H,5-9,11-14H2,1H3.
What are the key properties of [7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 393.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).