1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone

C25H32N2O3 — CID 143644106

IUPAC1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone
SMILESCC(C)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C1c1ccc(O)cc1
InChIInChI=1S/C25H32N2O3/c1-19(2)27-18-25(24(27)21-8-10-22(28)11-9-21)12-14-26(15-13-25)23(29)17-30-16-20-6-4-3-5-7-20/h3-11,19,24,28H,12-18H2,1-2H3
InChIKeyUKRNTDMJQQTINN-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.98
Rot. Bonds6

About 1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone

1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone (PubChem CID 143644106) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone
PubChem CID143644106
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone
SMILESCC(C)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C1c1ccc(O)cc1
InChIInChI=1S/C25H32N2O3/c1-19(2)27-18-25(24(27)21-8-10-22(28)11-9-21)12-14-26(15-13-25)23(29)17-30-16-20-6-4-3-5-7-20/h3-11,19,24,28H,12-18H2,1-2H3
InChIKeyUKRNTDMJQQTINN-UHFFFAOYSA-N
XLogP3.98
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone
CID 59686169
N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 70306745
(3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 143644042
[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone
CID 143644213
4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 143644249
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 97156480
3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxylic acid
CID 63133590
methyl (2S,3S)-2-ethyl-3-methyl-2-[[3-(4-phenylphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]pentanoate
CID 143643957
3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24829774
1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 72854004

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone (CID 143644106) is 1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone is CC(C)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C1c1ccc(O)cc1.
What is the InChIKey of 1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone?
The InChIKey is UKRNTDMJQQTINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19(2)27-18-25(24(27)21-8-10-22(28)11-9-21)12-14-26(15-13-25)23(29)17-30-16-20-6-4-3-5-7-20/h3-11,19,24,28H,12-18H2,1-2H3.
What are the key properties of 1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone?
1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone has a molecular weight of 408.54 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 143644106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).