4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide

C16H21N3O2 — CID 83097683

IUPAC4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1Cc1cccc(C#N)c1
InChIInChI=1S/C16H21N3O2/c1-2-6-18-16(20)15-12-21-8-7-19(15)11-14-5-3-4-13(9-14)10-17/h3-5,9,15H,2,6-8,11-12H2,1H3,(H,18,20)
InChIKeyKBNPDHXHUKJZCQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.29
Rot. Bonds5

About 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide

4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83097683) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
PubChem CID83097683
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1Cc1cccc(C#N)c1
InChIInChI=1S/C16H21N3O2/c1-2-6-18-16(20)15-12-21-8-7-19(15)11-14-5-3-4-13(9-14)10-17/h3-5,9,15H,2,6-8,11-12H2,1H3,(H,18,20)
InChIKeyKBNPDHXHUKJZCQ-UHFFFAOYSA-N
XLogP1.29
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83098273
3-[(3-methylmorpholin-4-yl)methyl]benzonitrile
CID 43429112
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-[(6-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099251
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 104717015
4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 114481288
4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099400
methyl 4-[(3-cyano-5-fluorophenyl)methyl]morpholine-3-carboxylate
CID 104775050
(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide
CID 97099885
4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
CID 107545052

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide (CID 83097683) is 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1Cc1cccc(C#N)c1.
What is the InChIKey of 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is KBNPDHXHUKJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-6-18-16(20)15-12-21-8-7-19(15)11-14-5-3-4-13(9-14)10-17/h3-5,9,15H,2,6-8,11-12H2,1H3,(H,18,20).
What are the key properties of 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide?
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83097683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).