4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid

C13H22N2O4 — CID 55177373

IUPAC4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)N2CCC(C)(C(=O)O)CC2)CCO1
InChIInChI=1S/C13H22N2O4/c1-10-9-15(7-8-19-10)12(18)14-5-3-13(2,4-6-14)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyVJMRWIIGNPKDHJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.01
Rot. Bonds1

About 4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid

4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 55177373) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID55177373
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)N2CCC(C)(C(=O)O)CC2)CCO1
InChIInChI=1S/C13H22N2O4/c1-10-9-15(7-8-19-10)12(18)14-5-3-13(2,4-6-14)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyVJMRWIIGNPKDHJ-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 79675798
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63145950
1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 43135712
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
1-(2-cyanomorpholine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79676927
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868
1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124373
4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid
CID 65282177
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
3-methyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63148214

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid (CID 55177373) is 4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid is CC1CN(C(=O)N2CCC(C)(C(=O)O)CC2)CCO1.
What is the InChIKey of 4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is VJMRWIIGNPKDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10-9-15(7-8-19-10)12(18)14-5-3-13(2,4-6-14)11(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid?
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55177373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).