4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile

C20H22N6O2 — CID 122344468

IUPAC4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C20H22N6O2/c21-15-16-1-3-17(4-2-16)19(27)25-9-7-24(8-10-25)18-5-6-22-20(23-18)26-11-13-28-14-12-26/h1-6H,7-14H2
InChIKeyRAYZFIZPLXVLSV-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.15
Rot. Bonds3

About 4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile

4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile (PubChem CID 122344468) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
PubChem CID122344468
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C20H22N6O2/c21-15-16-1-3-17(4-2-16)19(27)25-9-7-24(8-10-25)18-5-6-22-20(23-18)26-11-13-28-14-12-26/h1-6H,7-14H2
InChIKeyRAYZFIZPLXVLSV-UHFFFAOYSA-N
XLogP1.15
TPSA85.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703575
(3,4-difluorophenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344401
4-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
CID 10156226
(4-nitrophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344326
(2-methoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56922132
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703659
[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122344455
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
(1-methyl-3-phenylpyrazol-5-yl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344425
2,1,3-benzothiadiazol-5-yl-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344080
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122344533

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile (CID 122344468) is 4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile is N#Cc1ccc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1.
What is the InChIKey of 4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile?
The InChIKey is RAYZFIZPLXVLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c21-15-16-1-3-17(4-2-16)19(27)25-9-7-24(8-10-25)18-5-6-22-20(23-18)26-11-13-28-14-12-26/h1-6H,7-14H2.
What are the key properties of 4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile?
4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile has a molecular weight of 378.44 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile is sourced from PubChem (CID 122344468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).