[6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C22H29NO2 — CID 164710451

IUPAC[6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(c4ccc5c(c4)CCC5)C3)C2)C1
InChIInChI=1S/C22H29NO2/c1-21(25)10-19(11-21)20(24)23-13-22(14-23)8-7-18(12-22)17-6-5-15-3-2-4-16(15)9-17/h5-6,9,18-19,25H,2-4,7-8,10-14H2,1H3
InChIKeyXRKLXCYCPWQPNB-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.43
Rot. Bonds2

About [6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710451) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is [6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710451
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name[6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(c4ccc5c(c4)CCC5)C3)C2)C1
InChIInChI=1S/C22H29NO2/c1-21(25)10-19(11-21)20(24)23-13-22(14-23)8-7-18(12-22)17-6-5-15-3-2-4-16(15)9-17/h5-6,9,18-19,25H,2-4,7-8,10-14H2,1H3
InChIKeyXRKLXCYCPWQPNB-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710062
(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710347
(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
[7-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710149
[(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 175699469
[3-(difluoromethyl)-3-hydroxycyclobutyl]-[(6R)-6-(3-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 175699521
[7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710104
[7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710459
(3-hydroxy-3-methylcyclobutyl)-[6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710119
[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 [6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710451) is [6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC1(O)CC(C(=O)N2CC3(CCC(c4ccc5c(c4)CCC5)C3)C2)C1.
What is the InChIKey of [6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is XRKLXCYCPWQPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-21(25)10-19(11-21)20(24)23-13-22(14-23)8-7-18(12-22)17-6-5-15-3-2-4-16(15)9-17/h5-6,9,18-19,25H,2-4,7-8,10-14H2,1H3.
What are the key properties of [6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 339.48 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).