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

C22H25ClN2O — CID 97392762

IUPAC2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESCc1ccccc1CN1CC2(CCN(C(=O)Cc3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C22H25ClN2O/c1-17-4-2-3-5-19(17)13-24-14-22(15-24)10-11-25(16-22)21(26)12-18-6-8-20(23)9-7-18/h2-9H,10-16H2,1H3
InChIKeyKXUMEXVNTIYSLN-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.93
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone (PubChem CID 97392762) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
PubChem CID97392762
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESCc1ccccc1CN1CC2(CCN(C(=O)Cc3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C22H25ClN2O/c1-17-4-2-3-5-19(17)13-24-14-22(15-24)10-11-25(16-22)21(26)12-18-6-8-20(23)9-7-18/h2-9H,10-16H2,1H3
InChIKeyKXUMEXVNTIYSLN-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472463
2-(4-chlorophenyl)-1-[2-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97408641
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-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408658
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
1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone
CID 170787411
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-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065
2-(4-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 110398838
1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 69429169

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone (CID 97392762) is 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone is Cc1ccccc1CN1CC2(CCN(C(=O)Cc3ccc(Cl)cc3)C2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The InChIKey is KXUMEXVNTIYSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-17-4-2-3-5-19(17)13-24-14-22(15-24)10-11-25(16-22)21(26)12-18-6-8-20(23)9-7-18/h2-9H,10-16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone has a molecular weight of 368.91 g/mol, XLogP of 3.93, 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-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone is sourced from PubChem (CID 97392762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).