1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

C22H26N2O2 — CID 162627322

IUPAC1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(N2CCCC3(CCCN3Cc3cccc(O)c3)C2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-17-7-9-19(10-8-17)24-14-4-12-22(21(24)26)11-3-13-23(22)16-18-5-2-6-20(25)15-18/h2,5-10,15,25H,3-4,11-14,16H2,1H3
InChIKeyNMVGMGPIYCSTNW-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.86
Rot. Bonds3

About 1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162627322) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162627322
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(N2CCCC3(CCCN3Cc3cccc(O)c3)C2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-17-7-9-19(10-8-17)24-14-4-12-22(21(24)26)11-3-13-23(22)16-18-5-2-6-20(25)15-18/h2,5-10,15,25H,3-4,11-14,16H2,1H3
InChIKeyNMVGMGPIYCSTNW-UHFFFAOYSA-N
XLogP3.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-cyclopropyl-1-[(3-hydroxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162636091
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629044
1-(2-methoxyethyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627312
1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629767
9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626884
2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 162636373
1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630087
9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626511
2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione
CID 61018720
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163319262

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162627322) is 1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1ccc(N2CCCC3(CCCN3Cc3cccc(O)c3)C2=O)cc1.
What is the InChIKey of 1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is NMVGMGPIYCSTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-7-9-19(10-8-17)24-14-4-12-22(21(24)26)11-3-13-23(22)16-18-5-2-6-20(25)15-18/h2,5-10,15,25H,3-4,11-14,16H2,1H3.
What are the key properties of 1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 350.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162627322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).