methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate

C11H17NO5 — CID 20713862

IUPACmethyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(=O)OC
InChIInChI=1S/C11H17NO5/c1-16-9(13)7-8-5-3-4-6-12(8)10(14)11(15)17-2/h8H,3-7H2,1-2H3
InChIKeyUMJDNKKEMLCXQY-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.10
Rot. Bonds2

About methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate

methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate (PubChem CID 20713862) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
PubChem CID20713862
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namemethyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(=O)OC
InChIInChI=1S/C11H17NO5/c1-16-9(13)7-8-5-3-4-6-12(8)10(14)11(15)17-2/h8H,3-7H2,1-2H3
InChIKeyUMJDNKKEMLCXQY-UHFFFAOYSA-N
XLogP0.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
CID 115426493
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate
CID 106828161
CID 87065582
CID 87065582
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970
methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate
CID 54899857
methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate
CID 79163032
methyl 2-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-2-yl]acetate
CID 61010521
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate?
The IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate (CID 20713862) is methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate is COC(=O)CC1CCCCN1C(=O)C(=O)OC.
What is the InChIKey of methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate?
The InChIKey is UMJDNKKEMLCXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-16-9(13)7-8-5-3-4-6-12(8)10(14)11(15)17-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate?
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate has a molecular weight of 243.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 20713862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).