5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile

C26H24N2O2 — CID 158124876

IUPAC5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile
SMILESN#Cc1cc(Cc2ccccc2)ccc1Cc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H24N2O2/c27-19-25-18-22(16-20-4-2-1-3-5-20)8-11-24(25)17-21-6-9-23(10-7-21)26(29)28-12-14-30-15-13-28/h1-11,18H,12-17H2
InChIKeyFSAVGISYHWFZLA-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.21
Rot. Bonds5

About 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile

5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile (PubChem CID 158124876) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile.

Molecular Properties

Compound Name5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile
PubChem CID158124876
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile
SMILESN#Cc1cc(Cc2ccccc2)ccc1Cc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H24N2O2/c27-19-25-18-22(16-20-4-2-1-3-5-20)8-11-24(25)17-21-6-9-23(10-7-21)26(29)28-12-14-30-15-13-28/h1-11,18H,12-17H2
InChIKeyFSAVGISYHWFZLA-UHFFFAOYSA-N
XLogP4.21
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine, 4-(o-benzoylbenzoyl)
CID 208217
6-(2-aminoethyl)-9-(4-(morpholinomethyl)phenyl)benzo[h]isoquinolin-1(2H)-one
CID 44443526
N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 24979575
4-[2-(Aminomethyl)naphthalen-1-Yl]-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 56962331
2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2826521
2'-(1-Piperidinylcarbonyl)-2-biphenylcarbonitrile
CID 978305
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2201629
4-[1-Oxo-2-(3-piperidin-1-ylpropyl)-3,4-dihydroisoquinolin-6-yl]benzonitrile
CID 25217066
4-[1-Oxo-2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-6-yl]benzonitrile
CID 25217891
N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide
CID 44578534
N-[(1-benzylpiperidin-3-yl)methyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 137635625
N-[(1-benzylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 137651676

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile?
The IUPAC name of 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile (CID 158124876) is 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile.
What is the SMILES notation for 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile?
The canonical SMILES for 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile is N#Cc1cc(Cc2ccccc2)ccc1Cc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile?
The InChIKey is FSAVGISYHWFZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c27-19-25-18-22(16-20-4-2-1-3-5-20)8-11-24(25)17-21-6-9-23(10-7-21)26(29)28-12-14-30-15-13-28/h1-11,18H,12-17H2.
What are the key properties of 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile?
5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile has a molecular weight of 396.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzonitrile is sourced from PubChem (CID 158124876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).