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

C20H28F2N2O2 — CID 72915343

IUPAC2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCCOCCN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C20H28F2N2O2/c1-2-8-26-9-7-23-5-3-20(4-6-23)13-19(25)24(15-20)14-16-10-17(21)12-18(22)11-16/h10-12H,2-9,13-15H2,1H3
InChIKeyWJYVJRFRZJVEAL-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.21
Rot. Bonds7

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

2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72915343) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72915343
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCCOCCN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C20H28F2N2O2/c1-2-8-26-9-7-23-5-3-20(4-6-23)13-19(25)24(15-20)14-16-10-17(21)12-18(22)11-16/h10-12H,2-9,13-15H2,1H3
InChIKeyWJYVJRFRZJVEAL-UHFFFAOYSA-N
XLogP3.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 4069380
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3234384
2-(Cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171090
2-Benzyl-8-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 117890825
[1-(2-Fluorobenzyl)piperidin-4-yl](pyrrolidin-1-yl)methanone
CID 883953
[1-(2-Fluorobenzyl)piperidin-4-yl](morpholin-4-yl)methanone
CID 4428438
2-Cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171184
7-(4-fluorobenzyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 45175774
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72915343) is 2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one is CCCOCCN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WJYVJRFRZJVEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-2-8-26-9-7-23-5-3-20(4-6-23)13-19(25)24(15-20)14-16-10-17(21)12-18(22)11-16/h10-12H,2-9,13-15H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,5-difluorophenyl)methyl]-8-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 366.45 g/mol, XLogP of 3.21, 7 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-(2-propoxyethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72915343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).