ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium

C24H34FN3O3Y-2 — CID 153340016

IUPACethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium
SMILESCC.COCCN1CC(c2ccc(OC)cc2F)C([NH-])CC1=O.Cc1ccc([NH-])cc1.[Y]
InChIInChI=1S/C15H20FN2O3.C7H8N.C2H6.Y/c1-20-6-5-18-9-12(14(17)8-15(18)19)11-4-3-10(21-2)7-13(11)16;1-6-2-4-7(8)5-3-6;1-2;/h3-4,7,12,14,17H,5-6,8-9H2,1-2H3;2-5,8H,1H3;1-2H3;/q2*-1;;
InChIKeyBCNSNUZBQOCZBH-UHFFFAOYSA-N
MW520.46 g/mol
LogP5.92
Rot. Bonds5

About ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium

ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium (PubChem CID 153340016) has the molecular formula C24H34FN3O3Y-2 and a molecular weight of 520.46 g/mol. Its IUPAC name is ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium.

Molecular Properties

Compound Nameethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium
PubChem CID153340016
Molecular FormulaC24H34FN3O3Y-2
Molecular Weight520.46 g/mol
Exact Mass520.17
IUPAC Nameethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium
SMILESCC.COCCN1CC(c2ccc(OC)cc2F)C([NH-])CC1=O.Cc1ccc([NH-])cc1.[Y]
InChIInChI=1S/C15H20FN2O3.C7H8N.C2H6.Y/c1-20-6-5-18-9-12(14(17)8-15(18)19)11-4-3-10(21-2)7-13(11)16;1-6-2-4-7(8)5-3-6;1-2;/h3-4,7,12,14,17H,5-6,8-9H2,1-2H3;2-5,8H,1H3;1-2H3;/q2*-1;;
InChIKeyBCNSNUZBQOCZBH-UHFFFAOYSA-N
XLogP5.92
TPSA86.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane
CID 153340077
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 110346325
[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid
CID 134347497
N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 169319379
N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185480
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 67289393
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 158316657
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 22594208

Frequently Asked Questions

What is the IUPAC name of ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium?
The IUPAC name of ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium (CID 153340016) is ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium.
What is the SMILES notation for ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium?
The canonical SMILES for ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium is CC.COCCN1CC(c2ccc(OC)cc2F)C([NH-])CC1=O.Cc1ccc([NH-])cc1.[Y].
What is the InChIKey of ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium?
The InChIKey is BCNSNUZBQOCZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN2O3.C7H8N.C2H6.Y/c1-20-6-5-18-9-12(14(17)8-15(18)19)11-4-3-10(21-2)7-13(11)16;1-6-2-4-7(8)5-3-6;1-2;/h3-4,7,12,14,17H,5-6,8-9H2,1-2H3;2-5,8H,1H3;1-2H3;/q2*-1;;.
What are the key properties of ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium?
ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium has a molecular weight of 520.46 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium is sourced from PubChem (CID 153340016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).