1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid

C11H18N2O5 — CID 112568039

IUPAC1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid
SMILESCCN(C)C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-3-12(2)11(18)13-5-4-7(9(14)15)8(6-13)10(16)17/h7-8H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyUYEQHZGGGVJIFE-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.17
Rot. Bonds3

About 1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid

1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid (PubChem CID 112568039) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid
PubChem CID112568039
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid
SMILESCCN(C)C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-3-12(2)11(18)13-5-4-7(9(14)15)8(6-13)10(16)17/h7-8H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyUYEQHZGGGVJIFE-UHFFFAOYSA-N
XLogP0.17
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79162356
(3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 138052053
4-amino-N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 81456883
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626
N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115314043
1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278576
N-ethyl-N,2-dimethylmorpholine-4-carboxamide
CID 116653749
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 112754583
1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918481

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid (CID 112568039) is 1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid is CCN(C)C(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid?
The InChIKey is UYEQHZGGGVJIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-3-12(2)11(18)13-5-4-7(9(14)15)8(6-13)10(16)17/h7-8H,3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid?
1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112568039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).