ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate

C11H19NO3 — CID 59264612

IUPACethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate
SMILESCCOC(=O)C(C)(C)N1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-4-15-10(14)11(2,3)12-7-5-9(13)6-8-12/h4-8H2,1-3H3
InChIKeyLRJODPLIGYBURY-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.99
Rot. Bonds3

About ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate

ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate (PubChem CID 59264612) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate
PubChem CID59264612
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate
SMILESCCOC(=O)C(C)(C)N1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-4-15-10(14)11(2,3)12-7-5-9(13)6-8-12/h4-8H2,1-3H3
InChIKeyLRJODPLIGYBURY-UHFFFAOYSA-N
XLogP0.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3058841
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CID 22609829
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CID 130119466
CID 130119466
CID 15525951
CID 15525951
CID 102358
CID 102358
CID 3048284
CID 3048284
CID 3807039
CID 3807039
CID 13022015
CID 13022015
CID 15276784
CID 15276784
CID 18788960
CID 18788960
CID 18969345
CID 18969345

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate (CID 59264612) is ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate is CCOC(=O)C(C)(C)N1CCC(=O)CC1.
What is the InChIKey of ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate?
The InChIKey is LRJODPLIGYBURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-15-10(14)11(2,3)12-7-5-9(13)6-8-12/h4-8H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate?
ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate has a molecular weight of 213.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(4-oxopiperidin-1-yl)propanoate is sourced from PubChem (CID 59264612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).