2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C18H23N3O4S — CID 652664

IUPAC2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(C2(O)CCN(CC(=O)Nc3nccs3)CC2)c(OC)c1
InChIInChI=1S/C18H23N3O4S/c1-24-13-3-4-14(15(11-13)25-2)18(23)5-8-21(9-6-18)12-16(22)20-17-19-7-10-26-17/h3-4,7,10-11,23H,5-6,8-9,12H2,1-2H3,(H,19,20,22)
InChIKeyDJGPIVICPDLHCA-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.08
Rot. Bonds6

About 2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 652664) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID652664
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(C2(O)CCN(CC(=O)Nc3nccs3)CC2)c(OC)c1
InChIInChI=1S/C18H23N3O4S/c1-24-13-3-4-14(15(11-13)25-2)18(23)5-8-21(9-6-18)12-16(22)20-17-19-7-10-26-17/h3-4,7,10-11,23H,5-6,8-9,12H2,1-2H3,(H,19,20,22)
InChIKeyDJGPIVICPDLHCA-UHFFFAOYSA-N
XLogP2.08
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 652664) is 2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(C2(O)CCN(CC(=O)Nc3nccs3)CC2)c(OC)c1.
What is the InChIKey of 2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DJGPIVICPDLHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-24-13-3-4-14(15(11-13)25-2)18(23)5-8-21(9-6-18)12-16(22)20-17-19-7-10-26-17/h3-4,7,10-11,23H,5-6,8-9,12H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 652664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).