methyl 1-methyl-5-oxopiperidine-2-carboxylate

C8H13NO3 — CID 131405839

IUPACmethyl 1-methyl-5-oxopiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)CN1C
InChIInChI=1S/C8H13NO3/c1-9-5-6(10)3-4-7(9)8(11)12-2/h7H,3-5H2,1-2H3
InChIKeyWHIOWDFLGQIAJR-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.18
Rot. Bonds1

About methyl 1-methyl-5-oxopiperidine-2-carboxylate

methyl 1-methyl-5-oxopiperidine-2-carboxylate (PubChem CID 131405839) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 1-methyl-5-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-oxopiperidine-2-carboxylate
PubChem CID131405839
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 1-methyl-5-oxopiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)CN1C
InChIInChI=1S/C8H13NO3/c1-9-5-6(10)3-4-7(9)8(11)12-2/h7H,3-5H2,1-2H3
InChIKeyWHIOWDFLGQIAJR-UHFFFAOYSA-N
XLogP-0.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-oxopiperidine-2-carboxylate?
The IUPAC name of methyl 1-methyl-5-oxopiperidine-2-carboxylate (CID 131405839) is methyl 1-methyl-5-oxopiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-oxopiperidine-2-carboxylate?
The canonical SMILES for methyl 1-methyl-5-oxopiperidine-2-carboxylate is COC(=O)C1CCC(=O)CN1C.
What is the InChIKey of methyl 1-methyl-5-oxopiperidine-2-carboxylate?
The InChIKey is WHIOWDFLGQIAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-9-5-6(10)3-4-7(9)8(11)12-2/h7H,3-5H2,1-2H3.
What are the key properties of methyl 1-methyl-5-oxopiperidine-2-carboxylate?
methyl 1-methyl-5-oxopiperidine-2-carboxylate has a molecular weight of 171.20 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-oxopiperidine-2-carboxylate is sourced from PubChem (CID 131405839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).