(2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate

C14H14N2O4 — CID 2431349

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H14N2O4/c15-9-11-1-3-12(4-2-11)14(18)20-10-13(17)16-5-7-19-8-6-16/h1-4H,5-8,10H2
InChIKeyCSFSDDUFZCMSLE-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.57
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate

(2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate (PubChem CID 2431349) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate
PubChem CID2431349
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H14N2O4/c15-9-11-1-3-12(4-2-11)14(18)20-10-13(17)16-5-7-19-8-6-16/h1-4H,5-8,10H2
InChIKeyCSFSDDUFZCMSLE-UHFFFAOYSA-N
XLogP0.57
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2431145
(2-Morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate
CID 2347986
[2-(Azepan-1-yl)-2-oxoethyl] 4-cyanobenzoate
CID 2432653
(1-Methylpiperidin-3-yl) 4-cyanobenzoate;hydrochloride
CID 16239054
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate
CID 2355165
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-formylbenzoate
CID 2437506
(4-Morpholin-4-yl-4-oxobutyl) benzoate
CID 658750
(2-Morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate
CID 2333953
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-cyanobenzoate
CID 2407309
(2-Morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate
CID 2490334
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 4-cyanobenzoate
CID 3610817
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 4-methylbenzoate
CID 4383633

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate (CID 2431349) is (2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate is N#Cc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate?
The InChIKey is CSFSDDUFZCMSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c15-9-11-1-3-12(4-2-11)14(18)20-10-13(17)16-5-7-19-8-6-16/h1-4H,5-8,10H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate?
(2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate has a molecular weight of 274.28 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate is sourced from PubChem (CID 2431349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).