2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

C22H25ClN2O2 — CID 97473020

IUPAC2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CC2(CCN(Cc3ccc(O)cc3)CC2)C1
InChIInChI=1S/C22H25ClN2O2/c23-19-5-1-17(2-6-19)13-21(27)25-15-22(16-25)9-11-24(12-10-22)14-18-3-7-20(26)8-4-18/h1-8,26H,9-16H2
InChIKeyZISMSDQXTZZPKC-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.71
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 97473020) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
PubChem CID97473020
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CC2(CCN(Cc3ccc(O)cc3)CC2)C1
InChIInChI=1S/C22H25ClN2O2/c23-19-5-1-17(2-6-19)13-21(27)25-15-22(16-25)9-11-24(12-10-22)14-18-3-7-20(26)8-4-18/h1-8,26H,9-16H2
InChIKeyZISMSDQXTZZPKC-UHFFFAOYSA-N
XLogP3.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408658
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
2-(4-chlorophenyl)-1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408659
2-(4-chlorophenyl)-1-[7-[(3-fluoro-4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97392995
2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472463
2-(4-chlorophenyl)-1-[6-[(3,4-difluorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787318
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzoate
CID 170787480
2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97392762
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 69429885
2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97408641
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (CID 97473020) is 2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CC2(CCN(Cc3ccc(O)cc3)CC2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is ZISMSDQXTZZPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-19-5-1-17(2-6-19)13-21(27)25-15-22(16-25)9-11-24(12-10-22)14-18-3-7-20(26)8-4-18/h1-8,26H,9-16H2.
What are the key properties of 2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 384.91 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 97473020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).