3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile

C20H22N4O2S — CID 155954220

IUPAC3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile
SMILESN#Cc1cccc(C2CN(C(=O)c3csc(N4CCCCC4)n3)CCO2)c1
InChIInChI=1S/C20H22N4O2S/c21-12-15-5-4-6-16(11-15)18-13-24(9-10-26-18)19(25)17-14-27-20(22-17)23-7-2-1-3-8-23/h4-6,11,14,18H,1-3,7-10,13H2
InChIKeySJKAMTAFSPETGQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.22
Rot. Bonds3

About 3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile

3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile (PubChem CID 155954220) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile
PubChem CID155954220
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile
SMILESN#Cc1cccc(C2CN(C(=O)c3csc(N4CCCCC4)n3)CCO2)c1
InChIInChI=1S/C20H22N4O2S/c21-12-15-5-4-6-16(11-15)18-13-24(9-10-26-18)19(25)17-14-27-20(22-17)23-7-2-1-3-8-23/h4-6,11,14,18H,1-3,7-10,13H2
InChIKeySJKAMTAFSPETGQ-UHFFFAOYSA-N
XLogP3.22
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile
CID 124741580
3-[4-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)morpholin-2-yl]benzonitrile
CID 166189536
3-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]benzonitrile
CID 128974450
(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 124884126
3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile
CID 124883023
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119757090
3-[(2S)-4-(3-pyrimidin-4-ylpropanoyl)morpholin-2-yl]benzonitrile
CID 124741803
3-[(2R)-4-(3-pyrimidin-4-ylpropanoyl)morpholin-2-yl]benzonitrile
CID 124741802
4-[[[2-(3-cyanophenyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122020926
3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile
CID 124887188
(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 56878046

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile?
The IUPAC name of 3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile (CID 155954220) is 3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile is N#Cc1cccc(C2CN(C(=O)c3csc(N4CCCCC4)n3)CCO2)c1.
What is the InChIKey of 3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile?
The InChIKey is SJKAMTAFSPETGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c21-12-15-5-4-6-16(11-15)18-13-24(9-10-26-18)19(25)17-14-27-20(22-17)23-7-2-1-3-8-23/h4-6,11,14,18H,1-3,7-10,13H2.
What are the key properties of 3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile?
3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile has a molecular weight of 382.49 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile is sourced from PubChem (CID 155954220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).