1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone

C20H20ClFN2O — CID 170787411

IUPAC1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC2(CN(Cc3ccccc3Cl)C2)C1
InChIInChI=1S/C20H20ClFN2O/c21-18-4-2-1-3-16(18)10-23-11-20(12-23)13-24(14-20)19(25)9-15-5-7-17(22)8-6-15/h1-8H,9-14H2
InChIKeyCZRYCHWEBWJSRD-UHFFFAOYSA-N
MW358.84 g/mol
LogP3.37
Rot. Bonds4

About 1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone

1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 170787411) has the molecular formula C20H20ClFN2O and a molecular weight of 358.84 g/mol. Its IUPAC name is 1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone
PubChem CID170787411
Molecular FormulaC20H20ClFN2O
Molecular Weight358.84 g/mol
Exact Mass358.12
IUPAC Name1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC2(CN(Cc3ccccc3Cl)C2)C1
InChIInChI=1S/C20H20ClFN2O/c21-18-4-2-1-3-16(18)10-23-11-20(12-23)13-24(14-20)19(25)9-15-5-7-17(22)8-6-15/h1-8H,9-14H2
InChIKeyCZRYCHWEBWJSRD-UHFFFAOYSA-N
XLogP3.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[6-[(3,4-difluorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787318
2-(2-chlorophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 60590696
1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone
CID 170787296
2-(4-fluorophenyl)-1-[6-(1,3-thiazol-4-ylmethyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787282
2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787422
2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 146039419
2-(4-chlorophenyl)-1-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97392762
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
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-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472463
2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408658

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone (CID 170787411) is 1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CC2(CN(Cc3ccccc3Cl)C2)C1.
What is the InChIKey of 1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is CZRYCHWEBWJSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O/c21-18-4-2-1-3-16(18)10-23-11-20(12-23)13-24(14-20)19(25)9-15-5-7-17(22)8-6-15/h1-8H,9-14H2.
What are the key properties of 1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone?
1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 358.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 170787411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).