methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate

C15H16N2O4 — CID 78926753

IUPACmethyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Cc2ccc(C#N)cc2)CCO1
InChIInChI=1S/C15H16N2O4/c1-20-15(19)13-10-17(6-7-21-13)14(18)8-11-2-4-12(9-16)5-3-11/h2-5,13H,6-8,10H2,1H3
InChIKeyPZDWADRVCPPCGB-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.50
Rot. Bonds3

About methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate

methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate (PubChem CID 78926753) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate
PubChem CID78926753
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Cc2ccc(C#N)cc2)CCO1
InChIInChI=1S/C15H16N2O4/c1-20-15(19)13-10-17(6-7-21-13)14(18)8-11-2-4-12(9-16)5-3-11/h2-5,13H,6-8,10H2,1H3
InChIKeyPZDWADRVCPPCGB-UHFFFAOYSA-N
XLogP0.50
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate (CID 78926753) is methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)Cc2ccc(C#N)cc2)CCO1.
What is the InChIKey of methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate?
The InChIKey is PZDWADRVCPPCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-15(19)13-10-17(6-7-21-13)14(18)8-11-2-4-12(9-16)5-3-11/h2-5,13H,6-8,10H2,1H3.
What are the key properties of methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate?
methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).