4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile

C21H24N4O2S — CID 90617599

IUPAC4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1
InChIInChI=1S/C21H24N4O2S/c22-15-16-1-3-17(4-2-16)20(26)25-10-5-18(6-11-25)24-12-7-19(8-13-24)27-21-23-9-14-28-21/h1-4,9,14,18-19H,5-8,10-13H2
InChIKeyOZLXWOIZTMUTBJ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.16
Rot. Bonds4

About 4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile

4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile (PubChem CID 90617599) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile
PubChem CID90617599
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1
InChIInChI=1S/C21H24N4O2S/c22-15-16-1-3-17(4-2-16)20(26)25-10-5-18(6-11-25)24-12-7-19(8-13-24)27-21-23-9-14-28-21/h1-4,9,14,18-19H,5-8,10-13H2
InChIKeyOZLXWOIZTMUTBJ-UHFFFAOYSA-N
XLogP3.16
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzonitrile
CID 121150315
(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617849
[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617689
(3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617839
(3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617838
(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617593
(3-phenylmethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617761
(5-methylpyrazin-2-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617840
[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90617660
phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150299
4-[4-[(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbonyl]phenoxy]benzonitrile
CID 24794508
(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 86264475

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile (CID 90617599) is 4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile is N#Cc1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1.
What is the InChIKey of 4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile?
The InChIKey is OZLXWOIZTMUTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c22-15-16-1-3-17(4-2-16)20(26)25-10-5-18(6-11-25)24-12-7-19(8-13-24)27-21-23-9-14-28-21/h1-4,9,14,18-19H,5-8,10-13H2.
What are the key properties of 4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile?
4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile has a molecular weight of 396.52 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 90617599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).