methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate

C20H24F2N2O4 — CID 45179711

IUPACmethyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C20H24F2N2O4/c1-28-17(26)7-6-16(25)24-11-9-20(13-24)8-3-10-23(19(20)27)12-14-4-2-5-15(21)18(14)22/h2,4-5H,3,6-13H2,1H3
InChIKeyCHNLCUYVELUSOC-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.26
Rot. Bonds5

About methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate

methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate (PubChem CID 45179711) has the molecular formula C20H24F2N2O4 and a molecular weight of 394.42 g/mol. Its IUPAC name is methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate
PubChem CID45179711
Molecular FormulaC20H24F2N2O4
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Namemethyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C20H24F2N2O4/c1-28-17(26)7-6-16(25)24-11-9-20(13-24)8-3-10-23(19(20)27)12-14-4-2-5-15(21)18(14)22/h2,4-5H,3,6-13H2,1H3
InChIKeyCHNLCUYVELUSOC-UHFFFAOYSA-N
XLogP2.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate with MolForge

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Related Compounds

Methyl 4-(4-{3-[(4-fluorobenzyl)amino]-3-oxopropyl}-1-piperidinyl)-4-oxobutanoate
CID 23723487
2-(Cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171090
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
7-(4-Fluorobenzyl)-2-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 45242223
7-(3,4-difluorobenzyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 45242700
4-(4-Ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 46109607
4-(4-Ethylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 46110014
1-[(2-Fluorophenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 46110016

Frequently Asked Questions

What is the IUPAC name of methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate (CID 45179711) is methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate is COC(=O)CCC(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1.
What is the InChIKey of methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate?
The InChIKey is CHNLCUYVELUSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O4/c1-28-17(26)7-6-16(25)24-11-9-20(13-24)8-3-10-23(19(20)27)12-14-4-2-5-15(21)18(14)22/h2,4-5H,3,6-13H2,1H3.
What are the key properties of methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate?
methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate has a molecular weight of 394.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate is sourced from PubChem (CID 45179711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).