2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide

C23H23Cl2N3O2S — CID 44562479

IUPAC2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C23H23Cl2N3O2S/c24-17-6-4-16(5-7-17)23-27-20(15-31-23)13-28-10-8-19(9-11-28)26-22(29)14-30-21-3-1-2-18(25)12-21/h1-7,12,15,19H,8-11,13-14H2,(H,26,29)
InChIKeySHRPQTLDBVTUOB-UHFFFAOYSA-N
MW476.43 g/mol
LogP5.28
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide

2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 44562479) has the molecular formula C23H23Cl2N3O2S and a molecular weight of 476.43 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide
PubChem CID44562479
Molecular FormulaC23H23Cl2N3O2S
Molecular Weight476.43 g/mol
Exact Mass475.09
IUPAC Name2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C23H23Cl2N3O2S/c24-17-6-4-16(5-7-17)23-27-20(15-31-23)13-28-10-8-19(9-11-28)26-22(29)14-30-21-3-1-2-18(25)12-21/h1-7,12,15,19H,8-11,13-14H2,(H,26,29)
InChIKeySHRPQTLDBVTUOB-UHFFFAOYSA-N
XLogP5.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide (CID 44562479) is 2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide is O=C(COc1cccc(Cl)c1)NC1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is SHRPQTLDBVTUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2S/c24-17-6-4-16(5-7-17)23-27-20(15-31-23)13-28-10-8-19(9-11-28)26-22(29)14-30-21-3-1-2-18(25)12-21/h1-7,12,15,19H,8-11,13-14H2,(H,26,29).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide?
2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 476.43 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 44562479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).