[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone

C21H30N2O3 — CID 143644213

IUPAC[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone
SMILESCC(C)N1CC2(CCN(C(=O)C3CCCO3)CC2)C1c1ccc(O)cc1
InChIInChI=1S/C21H30N2O3/c1-15(2)23-14-21(19(23)16-5-7-17(24)8-6-16)9-11-22(12-10-21)20(25)18-4-3-13-26-18/h5-8,15,18-19,24H,3-4,9-14H2,1-2H3
InChIKeyDBOJOVGLWVVWBZ-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.95
Rot. Bonds3

About [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone

[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone (PubChem CID 143644213) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone
PubChem CID143644213
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone
SMILESCC(C)N1CC2(CCN(C(=O)C3CCCO3)CC2)C1c1ccc(O)cc1
InChIInChI=1S/C21H30N2O3/c1-15(2)23-14-21(19(23)16-5-7-17(24)8-6-16)9-11-22(12-10-21)20(25)18-4-3-13-26-18/h5-8,15,18-19,24H,3-4,9-14H2,1-2H3
InChIKeyDBOJOVGLWVVWBZ-UHFFFAOYSA-N
XLogP2.95
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 143644249
[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone
CID 146471082
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
[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium
CID 172954018
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
3-fluoro-5-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471104
4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
CID 146471193
3-fluoro-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471204
[(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146554960

Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone (CID 143644213) is [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone is CC(C)N1CC2(CCN(C(=O)C3CCCO3)CC2)C1c1ccc(O)cc1.
What is the InChIKey of [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone?
The InChIKey is DBOJOVGLWVVWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(2)23-14-21(19(23)16-5-7-17(24)8-6-16)9-11-22(12-10-21)20(25)18-4-3-13-26-18/h5-8,15,18-19,24H,3-4,9-14H2,1-2H3.
What are the key properties of [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone?
[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone has a molecular weight of 358.48 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 143644213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).