2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone

C27H27ClN2O — CID 97472463

IUPAC2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC2(CN(Cc3ccc(-c4ccccc4)cc3)C2)C1
InChIInChI=1S/C27H27ClN2O/c28-25-12-8-21(9-13-25)16-26(31)30-15-14-27(20-30)18-29(19-27)17-22-6-10-24(11-7-22)23-4-2-1-3-5-23/h1-13H,14-20H2
InChIKeyQJBYJMDJUHHSLC-UHFFFAOYSA-N
MW430.98 g/mol
LogP5.28
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone

2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone (PubChem CID 97472463) has the molecular formula C27H27ClN2O and a molecular weight of 430.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
PubChem CID97472463
Molecular FormulaC27H27ClN2O
Molecular Weight430.98 g/mol
Exact Mass430.18
IUPAC Name2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC2(CN(Cc3ccc(-c4ccccc4)cc3)C2)C1
InChIInChI=1S/C27H27ClN2O/c28-25-12-8-21(9-13-25)16-26(31)30-15-14-27(20-30)18-29(19-27)17-22-6-10-24(11-7-22)23-4-2-1-3-5-23/h1-13H,14-20H2
InChIKeyQJBYJMDJUHHSLC-UHFFFAOYSA-N
XLogP5.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97392762
2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408658
2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97408641
N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392793
2-(4-chlorophenyl)-1-[7-[(4-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97473020
2-(4-chlorophenyl)-1-[6-[(3,4-difluorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787318
2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 69429885
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzoate
CID 170787480
2-(4-chlorophenyl)-1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408659
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242
[(5R)-7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97473134

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone (CID 97472463) is 2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(Cc3ccc(-c4ccccc4)cc3)C2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The InChIKey is QJBYJMDJUHHSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O/c28-25-12-8-21(9-13-25)16-26(31)30-15-14-27(20-30)18-29(19-27)17-22-6-10-24(11-7-22)23-4-2-1-3-5-23/h1-13H,14-20H2.
What are the key properties of 2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone has a molecular weight of 430.98 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone is sourced from PubChem (CID 97472463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).