2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C20H26F2N2O2 — CID 72907532

IUPAC2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CC3CCOC3)CC2)CN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C20H26F2N2O2/c21-17-7-16(8-18(22)9-17)12-24-14-20(10-19(24)25)2-4-23(5-3-20)11-15-1-6-26-13-15/h7-9,15H,1-6,10-14H2
InChIKeyGZIKQYCSRAKTGH-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.82
Rot. Bonds4

About 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72907532) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72907532
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CC3CCOC3)CC2)CN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C20H26F2N2O2/c21-17-7-16(8-18(22)9-17)12-24-14-20(10-19(24)25)2-4-23(5-3-20)11-15-1-6-26-13-15/h7-9,15H,1-6,10-14H2
InChIKeyGZIKQYCSRAKTGH-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

2-(Cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171090
[1-(2-Fluorobenzyl)piperidin-4-yl](pyrrolidin-1-yl)methanone
CID 883953
2-(Cyclopentylcarbonyl)-7-(2,3-difluorobenzyl)-2,7-diazaspiro[4.5]decane
CID 45182590
7-(2,3-Difluorobenzyl)-2-(4-pentenoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45201470
2-Cyclopentyl-7-(3,4-difluorobenzyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45214580
7-(2,3-Difluorobenzyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45233849
8-[Bis(4-fluorophenyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 52947959
2-(3,4-Difluorobenzyl)-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70718496
2-(3,5-Difluorobenzyl)-8-glycoloyl-2,8-diazaspiro[4.5]decan-3-one
CID 72878571
2-(3,5-Difluorobenzyl)-8-isopropyl-2,8-diazaspiro[4.5]decan-3-one
CID 72884752
8-(2,6-Difluorobenzyl)-2-(3-methyl-2-buten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 72886752
2-(3,5-Difluorobenzyl)-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72902893

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72907532) is 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(CC3CCOC3)CC2)CN1Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GZIKQYCSRAKTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c21-17-7-16(8-18(22)9-17)12-24-14-20(10-19(24)25)2-4-23(5-3-20)11-15-1-6-26-13-15/h7-9,15H,1-6,10-14H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 364.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72907532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).