methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate

C10H17NO3 — CID 114509007

IUPACmethyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
SMILESCCC1CN(CC(=O)OC)CCC1=O
InChIInChI=1S/C10H17NO3/c1-3-8-6-11(5-4-9(8)12)7-10(13)14-2/h8H,3-7H2,1-2H3
InChIKeyDYNWHYDZYVYMNB-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds3

About methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate

methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate (PubChem CID 114509007) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
PubChem CID114509007
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
SMILESCCC1CN(CC(=O)OC)CCC1=O
InChIInChI=1S/C10H17NO3/c1-3-8-6-11(5-4-9(8)12)7-10(13)14-2/h8H,3-7H2,1-2H3
InChIKeyDYNWHYDZYVYMNB-UHFFFAOYSA-N
XLogP0.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114508947
N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
CID 114508729
3-ethyl-1-(2-oxopentyl)piperidin-4-one
CID 114509766
2-(3-ethyl-4-oxopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 114509023
N-cyclopentyl-2-(3-ethyl-4-oxopiperidin-1-yl)acetamide
CID 114508966
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one
CID 114508953
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
CID 114509764
3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 114509649

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate (CID 114509007) is methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate is CCC1CN(CC(=O)OC)CCC1=O.
What is the InChIKey of methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate?
The InChIKey is DYNWHYDZYVYMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-8-6-11(5-4-9(8)12)7-10(13)14-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate?
methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate has a molecular weight of 199.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate is sourced from PubChem (CID 114509007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).