methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate

C20H24F2N2O4 — CID 71687462

IUPACmethyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESC=CCON1C(=O)CC(C(=O)OC)C12CCN(Cc1cc(F)cc(F)c1)CC2
InChIInChI=1S/C20H24F2N2O4/c1-3-8-28-24-18(25)12-17(19(26)27-2)20(24)4-6-23(7-5-20)13-14-9-15(21)11-16(22)10-14/h3,9-11,17H,1,4-8,12-13H2,2H3
InChIKeyHQCDDECHCWBUBW-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.44
Rot. Bonds6

About methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 71687462) has the molecular formula C20H24F2N2O4 and a molecular weight of 394.42 g/mol. Its IUPAC name is methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID71687462
Molecular FormulaC20H24F2N2O4
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Namemethyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESC=CCON1C(=O)CC(C(=O)OC)C12CCN(Cc1cc(F)cc(F)c1)CC2
InChIInChI=1S/C20H24F2N2O4/c1-3-8-28-24-18(25)12-17(19(26)27-2)20(24)4-6-23(7-5-20)13-14-9-15(21)11-16(22)10-14/h3,9-11,17H,1,4-8,12-13H2,2H3
InChIKeyHQCDDECHCWBUBW-UHFFFAOYSA-N
XLogP2.44
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Related Compounds

methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687262
methyl (4R)-8-[[4-(furan-2-yl)phenyl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95716716
methyl (4R)-8-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95722750
methyl (4S)-2-oxo-1-prop-2-enoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95724910
methyl (4R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95718249
methyl (4S)-2-oxo-1-prop-2-enoxy-8-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95714584
methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95707391
methyl (4R)-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95728877
methyl 8-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687288
methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687335
methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687267
methyl 8-[(2,5-dimethoxyphenyl)methyl]-1-ethoxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687325

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 71687462) is methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is C=CCON1C(=O)CC(C(=O)OC)C12CCN(Cc1cc(F)cc(F)c1)CC2.
What is the InChIKey of methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is HQCDDECHCWBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O4/c1-3-8-28-24-18(25)12-17(19(26)27-2)20(24)4-6-23(7-5-20)13-14-9-15(21)11-16(22)10-14/h3,9-11,17H,1,4-8,12-13H2,2H3.
What are the key properties of methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 394.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(3,5-difluorophenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 71687462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).