2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

C21H22F2N2O — CID 170787422

IUPAC2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC2(CN(CCc3cccc(F)c3)C2)C1
InChIInChI=1S/C21H22F2N2O/c22-18-6-4-17(5-7-18)11-20(26)25-14-21(15-25)12-24(13-21)9-8-16-2-1-3-19(23)10-16/h1-7,10H,8-9,11-15H2
InChIKeyKXRLEQBDWDWJGP-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.89
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (PubChem CID 170787422) has the molecular formula C21H22F2N2O and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
PubChem CID170787422
Molecular FormulaC21H22F2N2O
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC2(CN(CCc3cccc(F)c3)C2)C1
InChIInChI=1S/C21H22F2N2O/c22-18-6-4-17(5-7-18)11-20(26)25-14-21(15-25)12-24(13-21)9-8-16-2-1-3-19(23)10-16/h1-7,10H,8-9,11-15H2
InChIKeyKXRLEQBDWDWJGP-UHFFFAOYSA-N
XLogP2.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787340
3-(3-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110604595
1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone
CID 170787296
1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone
CID 170787411
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
CID 63789963
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 110604596
2-(4-fluorophenyl)-1-[6-(1,3-thiazol-4-ylmethyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787282
2-(4-chlorophenyl)-1-[6-[(3,4-difluorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787318
2-(3-fluorophenyl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110804316
2-(4-fluorophenyl)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412042

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (CID 170787422) is 2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CC2(CN(CCc3cccc(F)c3)C2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The InChIKey is KXRLEQBDWDWJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O/c22-18-6-4-17(5-7-18)11-20(26)25-14-21(15-25)12-24(13-21)9-8-16-2-1-3-19(23)10-16/h1-7,10H,8-9,11-15H2.
What are the key properties of 2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone has a molecular weight of 356.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is sourced from PubChem (CID 170787422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).