6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone

C18H23NO3 — CID 136538070

IUPAC6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone
SMILESO=C(c1ccc(OC2CCOC2)cc1)N1CCC2(CC1)CC2
InChIInChI=1S/C18H23NO3/c20-17(19-10-8-18(6-7-18)9-11-19)14-1-3-15(4-2-14)22-16-5-12-21-13-16/h1-4,16H,5-13H2
InChIKeyOARKIKVBAOHRSC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.87
Rot. Bonds3

About 6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone

6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone (PubChem CID 136538070) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone
PubChem CID136538070
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone
SMILESO=C(c1ccc(OC2CCOC2)cc1)N1CCC2(CC1)CC2
InChIInChI=1S/C18H23NO3/c20-17(19-10-8-18(6-7-18)9-11-19)14-1-3-15(4-2-14)22-16-5-12-21-13-16/h1-4,16H,5-13H2
InChIKeyOARKIKVBAOHRSC-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
3-methyl-1-[4-(oxan-4-yloxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257401
1-[4-(oxolan-3-yloxy)phenyl]propan-1-one
CID 63557977
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 76999043
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
[4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 136543985
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 167117214
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 68927330

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone?
The IUPAC name of 6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone (CID 136538070) is 6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone is O=C(c1ccc(OC2CCOC2)cc1)N1CCC2(CC1)CC2.
What is the InChIKey of 6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone?
The InChIKey is OARKIKVBAOHRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(19-10-8-18(6-7-18)9-11-19)14-1-3-15(4-2-14)22-16-5-12-21-13-16/h1-4,16H,5-13H2.
What are the key properties of 6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone?
6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone has a molecular weight of 301.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone is sourced from PubChem (CID 136538070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).