(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone

C22H31NO2 — CID 164710062

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCC(C)c1ccc(C2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1
InChIInChI=1S/C22H31NO2/c1-15(2)16-4-6-17(7-5-16)18-8-9-22(12-18)13-23(14-22)20(24)19-10-21(3,25)11-19/h4-7,15,18-19,25H,8-14H2,1-3H3
InChIKeyQUXHNODBCKGBMR-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.07
Rot. Bonds3

About (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 164710062) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID164710062
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCC(C)c1ccc(C2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1
InChIInChI=1S/C22H31NO2/c1-15(2)16-4-6-17(7-5-16)18-8-9-22(12-18)13-23(14-22)20(24)19-10-21(3,25)11-19/h4-7,15,18-19,25H,8-14H2,1-3H3
InChIKeyQUXHNODBCKGBMR-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane
CID 165095352
(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710347
(3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710264
[6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710451
[3-(difluoromethyl)-3-hydroxycyclobutyl]-[(6R)-6-(3-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 175699521
(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 175699497
[6-[3-(difluoromethyl)-5-methylphenyl]-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710076
(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710036
[(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 175699469
[7-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710149
[7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710364
[7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710104

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone (CID 164710062) is (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone is CC(C)c1ccc(C2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is QUXHNODBCKGBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-15(2)16-4-6-17(7-5-16)18-8-9-22(12-18)13-23(14-22)20(24)19-10-21(3,25)11-19/h4-7,15,18-19,25H,8-14H2,1-3H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 341.50 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 164710062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).