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

C22H24Cl2N2O — CID 97408658

IUPAC2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C22H24Cl2N2O/c23-19-5-1-17(2-6-19)13-21(27)26-15-22(16-26)9-11-25(12-10-22)14-18-3-7-20(24)8-4-18/h1-8H,9-16H2
InChIKeyAIYSEEPUXNBNCK-UHFFFAOYSA-N
MW403.35 g/mol
LogP4.66
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 97408658) has the molecular formula C22H24Cl2N2O and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
PubChem CID97408658
Molecular FormulaC22H24Cl2N2O
Molecular Weight403.35 g/mol
Exact Mass402.13
IUPAC Name2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C22H24Cl2N2O/c23-19-5-1-17(2-6-19)13-21(27)26-15-22(16-26)9-11-25(12-10-22)14-18-3-7-20(24)8-4-18/h1-8H,9-16H2
InChIKeyAIYSEEPUXNBNCK-UHFFFAOYSA-N
XLogP4.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97473020
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
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
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
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
2-(4-chlorophenyl)-2-methyl-1-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one;ethane;formaldehyde
CID 144923259
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (CID 97408658) is 2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is AIYSEEPUXNBNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O/c23-19-5-1-17(2-6-19)13-21(27)26-15-22(16-26)9-11-25(12-10-22)14-18-3-7-20(24)8-4-18/h1-8H,9-16H2.
What are the key properties of 2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 403.35 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 97408658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).