1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid

C13H19N3O4 — CID 107071765

IUPAC1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N2CCOC(C#N)C2)C1C(=O)O
InChIInChI=1S/C13H19N3O4/c1-9-3-2-4-16(11(9)12(17)18)13(19)15-5-6-20-10(7-14)8-15/h9-11H,2-6,8H2,1H3,(H,17,18)
InChIKeyFJWBOFJWFWCKPY-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.52
Rot. Bonds1

About 1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid

1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071765) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107071765
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N2CCOC(C#N)C2)C1C(=O)O
InChIInChI=1S/C13H19N3O4/c1-9-3-2-4-16(11(9)12(17)18)13(19)15-5-6-20-10(7-14)8-15/h9-11H,2-6,8H2,1H3,(H,17,18)
InChIKeyFJWBOFJWFWCKPY-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-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
CID 107071792
1-(2-ethylmorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071345
1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 79675793
(2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79676546
1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071356
4-(2-methylcyclopropanecarbonyl)morpholine-2-carbonitrile
CID 78945771
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071729
3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104937291
1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071779
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
1-(2-cyanomorpholine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 79676543
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid (CID 107071765) is 1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)N2CCOC(C#N)C2)C1C(=O)O.
What is the InChIKey of 1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is FJWBOFJWFWCKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-3-2-4-16(11(9)12(17)18)13(19)15-5-6-20-10(7-14)8-15/h9-11H,2-6,8H2,1H3,(H,17,18).
What are the key properties of 1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid?
1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-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)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).