[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone

C19H25NO2 — CID 146504722

IUPAC[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1
InChIInChI=1S/C19H25NO2/c1-14-4-6-15(7-5-14)16-13-19(16)8-10-20(11-9-19)18(21)17-3-2-12-22-17/h4-7,16-17H,2-3,8-13H2,1H3/t16-,17-/m1/s1
InChIKeyJWRPCKSPBJMAFU-IAGOWNOFSA-N
MW299.41 g/mol
LogP3.27
Rot. Bonds2

About [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone

[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 146504722) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID146504722
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1
InChIInChI=1S/C19H25NO2/c1-14-4-6-15(7-5-14)16-13-19(16)8-10-20(11-9-19)18(21)17-3-2-12-22-17/h4-7,16-17H,2-3,8-13H2,1H3/t16-,17-/m1/s1
InChIKeyJWRPCKSPBJMAFU-IAGOWNOFSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

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Related Compounds

3-methyl-5-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471115
3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471291
4-chloro-3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146470961
[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone
CID 146471082
3-fluoro-5-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471104
3-fluoro-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471204
4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
CID 146471193
[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium
CID 172954018
3-chloro-4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471120
3-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-4-(trifluoromethyl)benzoic acid
CID 146471160
[(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 155439334
4-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-(trifluoromethyl)benzoic acid
CID 146471201

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone (CID 146504722) is [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone is Cc1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.
What is the InChIKey of [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is JWRPCKSPBJMAFU-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14-4-6-15(7-5-14)16-13-19(16)8-10-20(11-9-19)18(21)17-3-2-12-22-17/h4-7,16-17H,2-3,8-13H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 299.41 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 146504722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).