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

C12H20N2O3 — CID 68631599

IUPAC4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1(N2CCC(=O)CC2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-12(14-6-2-10(15)3-7-14)4-8-13(9-5-12)11(16)17/h2-9H2,1H3,(H,16,17)
InChIKeyMLBPRQPLCSRRCS-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.18
Rot. Bonds1

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

4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 68631599) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID68631599
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1(N2CCC(=O)CC2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-12(14-6-2-10(15)3-7-14)4-8-13(9-5-12)11(16)17/h2-9H2,1H3,(H,16,17)
InChIKeyMLBPRQPLCSRRCS-UHFFFAOYSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid (CID 68631599) is 4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid is CC1(N2CCC(=O)CC2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is MLBPRQPLCSRRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(14-6-2-10(15)3-7-14)4-8-13(9-5-12)11(16)17/h2-9H2,1H3,(H,16,17).
What are the key properties of 4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68631599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).