4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile

C19H18N2O2 — CID 24724224

IUPAC4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
SMILESN#Cc1ccc(C(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C19H18N2O2/c20-13-15-1-5-17(6-2-15)19(22)18-7-3-16(4-8-18)14-21-9-11-23-12-10-21/h1-8H,9-12,14H2
InChIKeyRCNDPYZIALOUMJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.62
Rot. Bonds4

About 4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile

4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile (PubChem CID 24724224) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
PubChem CID24724224
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
SMILESN#Cc1ccc(C(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C19H18N2O2/c20-13-15-1-5-17(6-2-15)19(22)18-7-3-16(4-8-18)14-21-9-11-23-12-10-21/h1-8H,9-12,14H2
InChIKeyRCNDPYZIALOUMJ-UHFFFAOYSA-N
XLogP2.62
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 4531486
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
CID 59303659
CID 59303659
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
4-[3-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24724847
4-[2-(1,4-oxazepan-4-yl)acetyl]benzonitrile
CID 62973437
2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18230254
4-[2-fluoro-4-[4-(morpholin-4-ylmethyl)phenyl]but-1-en-3-ynyl]benzonitrile
CID 86643766
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetic acid
CID 43396853
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488

Frequently Asked Questions

What is the IUPAC name of 4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile?
The IUPAC name of 4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile (CID 24724224) is 4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile.
What is the SMILES notation for 4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile?
The canonical SMILES for 4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile is N#Cc1ccc(C(=O)c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile?
The InChIKey is RCNDPYZIALOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-13-15-1-5-17(6-2-15)19(22)18-7-3-16(4-8-18)14-21-9-11-23-12-10-21/h1-8H,9-12,14H2.
What are the key properties of 4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile?
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile is sourced from PubChem (CID 24724224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).