methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium

C9H14NO3Y- — CID 155636801

IUPACmethyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium
SMILESCOC(=O)C(=O)N1CC[C-](C)CC1.[Y]
InChIInChI=1S/C9H14NO3.Y/c1-7-3-5-10(6-4-7)8(11)9(12)13-2;/h3-6H2,1-2H3;/q-1;
InChIKeyLUYFITOPLQAZKQ-UHFFFAOYSA-N
MW273.12 g/mol
LogP0.37
Rot. Bonds

About methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium

methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium (PubChem CID 155636801) has the molecular formula C9H14NO3Y- and a molecular weight of 273.12 g/mol. Its IUPAC name is methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium.

Molecular Properties

Compound Namemethyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium
PubChem CID155636801
Molecular FormulaC9H14NO3Y-
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Namemethyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium
SMILESCOC(=O)C(=O)N1CC[C-](C)CC1.[Y]
InChIInChI=1S/C9H14NO3.Y/c1-7-3-5-10(6-4-7)8(11)9(12)13-2;/h3-6H2,1-2H3;/q-1;
InChIKeyLUYFITOPLQAZKQ-UHFFFAOYSA-N
XLogP0.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(1,2,5-dithiazepan-5-yl)-2-oxoacetate
CID 126990739
methyl 2-(4-methylazepan-1-yl)-2-oxoacetate
CID 112617256
methyl 2-(4-hydroxyazepan-1-yl)-2-oxoacetate
CID 131203873
methyl 2-(3-methylpiperidin-1-yl)-2-oxoacetate
CID 75480937
methyl 2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetate
CID 112683938
methyl 2-(3-azabicyclo[3.2.0]heptan-3-yl)-2-oxoacetate
CID 164659262
methyl 2-(3-fluorosulfonylpyrrolidin-1-yl)-2-oxoacetate
CID 165488865
methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate
CID 112617528
methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate
CID 112617445
methyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetate
CID 107228466
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801
methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate
CID 112617221

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium?
The IUPAC name of methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium (CID 155636801) is methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium.
What is the SMILES notation for methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium?
The canonical SMILES for methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium is COC(=O)C(=O)N1CC[C-](C)CC1.[Y].
What is the InChIKey of methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium?
The InChIKey is LUYFITOPLQAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO3.Y/c1-7-3-5-10(6-4-7)8(11)9(12)13-2;/h3-6H2,1-2H3;/q-1;.
What are the key properties of methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium?
methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium has a molecular weight of 273.12 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylpiperidin-4-id-1-yl)-2-oxoacetate;yttrium is sourced from PubChem (CID 155636801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).