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

C9H15NO3 — CID 18969345

IUPACmethyl 2-(4-oxopiperidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CCC(=O)CC1
InChIInChI=1S/C9H15NO3/c1-7(9(12)13-2)10-5-3-8(11)4-6-10/h7H,3-6H2,1-2H3
InChIKeyWFBUIYPFDBRVMM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.21
Rot. Bonds2

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

methyl 2-(4-oxopiperidin-1-yl)propanoate (PubChem CID 18969345) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-(4-oxopiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-oxopiperidin-1-yl)propanoate
PubChem CID18969345
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-(4-oxopiperidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CCC(=O)CC1
InChIInChI=1S/C9H15NO3/c1-7(9(12)13-2)10-5-3-8(11)4-6-10/h7H,3-6H2,1-2H3
InChIKeyWFBUIYPFDBRVMM-UHFFFAOYSA-N
XLogP0.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxopiperidin-1-yl)propanoate?
The IUPAC name of methyl 2-(4-oxopiperidin-1-yl)propanoate (CID 18969345) is methyl 2-(4-oxopiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(4-oxopiperidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(4-oxopiperidin-1-yl)propanoate is COC(=O)C(C)N1CCC(=O)CC1.
What is the InChIKey of methyl 2-(4-oxopiperidin-1-yl)propanoate?
The InChIKey is WFBUIYPFDBRVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(9(12)13-2)10-5-3-8(11)4-6-10/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-(4-oxopiperidin-1-yl)propanoate?
methyl 2-(4-oxopiperidin-1-yl)propanoate has a molecular weight of 185.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxopiperidin-1-yl)propanoate is sourced from PubChem (CID 18969345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).