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

C20H24F2N2O2 — CID 91940537

IUPAC2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCC=CCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C20H24F2N2O2/c1-2-3-4-18(25)23-7-5-20(6-8-23)12-19(26)24(14-20)13-15-9-16(21)11-17(22)10-15/h2-3,9-11H,4-8,12-14H2,1H3
InChIKeyLGGPBZGWLKHIJP-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.27
Rot. Bonds4

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

2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 91940537) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID91940537
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCC=CCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C20H24F2N2O2/c1-2-3-4-18(25)23-7-5-20(6-8-23)12-19(26)24(14-20)13-15-9-16(21)11-17(22)10-15/h2-3,9-11H,4-8,12-14H2,1H3
InChIKeyLGGPBZGWLKHIJP-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72856538
2-[(3,5-difluorophenyl)methyl]-8-[(2S)-2-methoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191342
2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97274757
8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899239
methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate
CID 97130235
methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate
CID 72875092
2-[(3,5-difluorophenyl)methyl]-8-propylsulfonyl-2,8-diazaspiro[4.5]decan-3-one
CID 72904883
2-[(3,4-difluorophenyl)methyl]-8-(3-methylsulfanylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70721853
2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155873502
8-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851747
2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
CID 154897760
8-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
CID 154900459

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one (CID 91940537) is 2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one is CC=CCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is LGGPBZGWLKHIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-2-3-4-18(25)23-7-5-20(6-8-23)12-19(26)24(14-20)13-15-9-16(21)11-17(22)10-15/h2-3,9-11H,4-8,12-14H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 362.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91940537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).