4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide

C13H15N3O2 — CID 83092917

IUPAC4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
SMILESN#Cc1ccccc1CN1CCOCC1C(N)=O
InChIInChI=1S/C13H15N3O2/c14-7-10-3-1-2-4-11(10)8-16-5-6-18-9-12(16)13(15)17/h1-4,12H,5-6,8-9H2,(H2,15,17)
InChIKeyMPQFWVFOHBQUSE-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.24
Rot. Bonds3

About 4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide

4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide (PubChem CID 83092917) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
PubChem CID83092917
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
SMILESN#Cc1ccccc1CN1CCOCC1C(N)=O
InChIInChI=1S/C13H15N3O2/c14-7-10-3-1-2-4-11(10)8-16-5-6-18-9-12(16)13(15)17/h1-4,12H,5-6,8-9H2,(H2,15,17)
InChIKeyMPQFWVFOHBQUSE-UHFFFAOYSA-N
XLogP0.24
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
CID 83095375
4-[[2-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095840
4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095631
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795
2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483866
4-[(2-amino-5-nitrophenyl)methyl]morpholine-3-carboxamide
CID 83095659
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-(cyanomethyl)morpholine-3-carboxamide
CID 83092724
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83096073
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide (CID 83092917) is 4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide is N#Cc1ccccc1CN1CCOCC1C(N)=O.
What is the InChIKey of 4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide?
The InChIKey is MPQFWVFOHBQUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-7-10-3-1-2-4-11(10)8-16-5-6-18-9-12(16)13(15)17/h1-4,12H,5-6,8-9H2,(H2,15,17).
What are the key properties of 4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide?
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83092917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).