1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid

C13H19N3O4 — CID 79675798

IUPAC1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCOC(C#N)C2)CC1
InChIInChI=1S/C13H19N3O4/c1-13(11(17)18)2-4-15(5-3-13)12(19)16-6-7-20-10(8-14)9-16/h10H,2-7,9H2,1H3,(H,17,18)
InChIKeyYGPZUDONCYZWFE-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.52
Rot. Bonds1

About 1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid

1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 79675798) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID79675798
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCOC(C#N)C2)CC1
InChIInChI=1S/C13H19N3O4/c1-13(11(17)18)2-4-15(5-3-13)12(19)16-6-7-20-10(8-14)9-16/h10H,2-7,9H2,1H3,(H,17,18)
InChIKeyYGPZUDONCYZWFE-UHFFFAOYSA-N
XLogP0.52
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanomorpholine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79676927
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177373
1-(2-cyanomorpholine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 79676543
1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 79675793
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355
4-(2-methylcyclopropanecarbonyl)morpholine-2-carbonitrile
CID 78945771
1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071765
(2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79676546
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 79675798) is 1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)N2CCOC(C#N)C2)CC1.
What is the InChIKey of 1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is YGPZUDONCYZWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(11(17)18)2-4-15(5-3-13)12(19)16-6-7-20-10(8-14)9-16/h10H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 79675798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).