4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid

C12H20N2O3 — CID 67971983

IUPAC4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1CCN(C(=O)O)CC1N1CCCCC1=O
InChIInChI=1S/C12H20N2O3/c1-9-5-7-13(12(16)17)8-10(9)14-6-3-2-4-11(14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyOQTSQUBHMSQBBY-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.39
Rot. Bonds1

About 4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid

4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 67971983) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID67971983
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1CCN(C(=O)O)CC1N1CCCCC1=O
InChIInChI=1S/C12H20N2O3/c1-9-5-7-13(12(16)17)8-10(9)14-6-3-2-4-11(14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyOQTSQUBHMSQBBY-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid (CID 67971983) is 4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid is CC1CCN(C(=O)O)CC1N1CCCCC1=O.
What is the InChIKey of 4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is OQTSQUBHMSQBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-5-7-13(12(16)17)8-10(9)14-6-3-2-4-11(14)15/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67971983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).