2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone

C21H25Cl2N3O3S — CID 90617869

IUPAC2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C21H25Cl2N3O3S/c22-15-1-2-19(18(23)13-15)28-14-20(27)26-8-3-16(4-9-26)25-10-5-17(6-11-25)29-21-24-7-12-30-21/h1-2,7,12-13,16-17H,3-6,8-11,14H2
InChIKeyUWBQLEHDEOZAOF-UHFFFAOYSA-N
MW470.42 g/mol
LogP4.36
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone

2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 90617869) has the molecular formula C21H25Cl2N3O3S and a molecular weight of 470.42 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID90617869
Molecular FormulaC21H25Cl2N3O3S
Molecular Weight470.42 g/mol
Exact Mass469.10
IUPAC Name2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C21H25Cl2N3O3S/c22-15-1-2-19(18(23)13-15)28-14-20(27)26-8-3-16(4-9-26)25-10-5-17(6-11-25)29-21-24-7-12-30-21/h1-2,7,12-13,16-17H,3-6,8-11,14H2
InChIKeyUWBQLEHDEOZAOF-UHFFFAOYSA-N
XLogP4.36
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(3-methylphenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617627
(3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617838
2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161897
3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide
CID 90617703
(3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617839
2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617879
1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one
CID 90617741
2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617825
(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617593
(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617849
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617689

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone (CID 90617869) is 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1Cl)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is UWBQLEHDEOZAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O3S/c22-15-1-2-19(18(23)13-15)28-14-20(27)26-8-3-16(4-9-26)25-10-5-17(6-11-25)29-21-24-7-12-30-21/h1-2,7,12-13,16-17H,3-6,8-11,14H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?
2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 470.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90617869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).