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

C12H17N3O4 — CID 79675793

IUPAC1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid
SMILESN#CC1CN(C(=O)N2CCCC(C(=O)O)C2)CCO1
InChIInChI=1S/C12H17N3O4/c13-6-10-8-15(4-5-19-10)12(18)14-3-1-2-9(7-14)11(16)17/h9-10H,1-5,7-8H2,(H,16,17)
InChIKeyMBGGIWNBPSCAFG-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.13
Rot. Bonds1

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

1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 79675793) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID79675793
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid
SMILESN#CC1CN(C(=O)N2CCCC(C(=O)O)C2)CCO1
InChIInChI=1S/C12H17N3O4/c13-6-10-8-15(4-5-19-10)12(18)14-3-1-2-9(7-14)11(16)17/h9-10H,1-5,7-8H2,(H,16,17)
InChIKeyMBGGIWNBPSCAFG-UHFFFAOYSA-N
XLogP0.13
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
CID 78945818
1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071765
1-(2-cyanomorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 79675798
(3R)-1-(2-methyl-1,4-oxazepane-4-carbonyl)piperidine-3-carboxylic acid
CID 81120994
1-(2-cyanomorpholine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79676927
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79676546
4-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79671135
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile
CID 79674039
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid (CID 79675793) is 1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid is N#CC1CN(C(=O)N2CCCC(C(=O)O)C2)CCO1.
What is the InChIKey of 1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is MBGGIWNBPSCAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c13-6-10-8-15(4-5-19-10)12(18)14-3-1-2-9(7-14)11(16)17/h9-10H,1-5,7-8H2,(H,16,17).
What are the key properties of 1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid?
1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.13, 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)piperidine-3-carboxylic acid is sourced from PubChem (CID 79675793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).