2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one

C19H26FN3O2 — CID 155630366

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CCC3COC3)C(=O)N2)C1
InChIInChI=1S/C19H26FN3O2/c1-22(2)19(15-4-3-5-16(20)8-15)11-18(12-19)13-23(17(24)21-18)7-6-14-9-25-10-14/h3-5,8,14H,6-7,9-13H2,1-2H3,(H,21,24)
InChIKeyPWTMGPMSHWGGMZ-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.18
Rot. Bonds5

About 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one

2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 155630366) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one
PubChem CID155630366
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CCC3COC3)C(=O)N2)C1
InChIInChI=1S/C19H26FN3O2/c1-22(2)19(15-4-3-5-16(20)8-15)11-18(12-19)13-23(17(24)21-18)7-6-14-9-25-10-14/h3-5,8,14H,6-7,9-13H2,1-2H3,(H,21,24)
InChIKeyPWTMGPMSHWGGMZ-UHFFFAOYSA-N
XLogP2.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one (CID 155630366) is 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(CCC3COC3)C(=O)N2)C1.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is PWTMGPMSHWGGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-22(2)19(15-4-3-5-16(20)8-15)11-18(12-19)13-23(17(24)21-18)7-6-14-9-25-10-14/h3-5,8,14H,6-7,9-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one?
2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 347.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 155630366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).