8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one

C16H19F2N3O3 — CID 136565455

IUPAC8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1C(=O)NCC12CCN(C(=O)COc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C16H19F2N3O3/c1-20-15(23)19-10-16(20)4-6-21(7-5-16)14(22)9-24-11-2-3-12(17)13(18)8-11/h2-3,8H,4-7,9-10H2,1H3,(H,19,23)
InChIKeyWOVHWUIGJZMADC-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.36
Rot. Bonds3

About 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one

8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 136565455) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID136565455
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1C(=O)NCC12CCN(C(=O)COc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C16H19F2N3O3/c1-20-15(23)19-10-16(20)4-6-21(7-5-16)14(22)9-24-11-2-3-12(17)13(18)8-11/h2-3,8H,4-7,9-10H2,1H3,(H,19,23)
InChIKeyWOVHWUIGJZMADC-UHFFFAOYSA-N
XLogP1.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 107719544
2-(4-chloro-3-methylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706987
2-[4-[2-(3,4-difluorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194614
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103726935
2-(3-bromo-4-fluorophenoxy)-1-pyrrolidin-1-ylethanone
CID 83235326
(4R)-4-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one
CID 129487961
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 107720138
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077822
2-(3-chloro-4-fluorophenoxy)-1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]ethanone
CID 72863341

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 136565455) is 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one is CN1C(=O)NCC12CCN(C(=O)COc1ccc(F)c(F)c1)CC2.
What is the InChIKey of 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is WOVHWUIGJZMADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-20-15(23)19-10-16(20)4-6-21(7-5-16)14(22)9-24-11-2-3-12(17)13(18)8-11/h2-3,8H,4-7,9-10H2,1H3,(H,19,23).
What are the key properties of 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 339.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3,4-difluorophenoxy)acetyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 136565455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).