2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C23H25N3O3S — CID 3228839

IUPAC2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccccc1C1(O)CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C23H25N3O3S/c1-29-20-10-6-5-9-18(20)23(28)11-13-26(14-12-23)15-21(27)25-22-24-19(16-30-22)17-7-3-2-4-8-17/h2-10,16,28H,11-15H2,1H3,(H,24,25,27)
InChIKeyLWLWRZWVYKRBPE-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.74
Rot. Bonds6

About 2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3228839) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID3228839
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccccc1C1(O)CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C23H25N3O3S/c1-29-20-10-6-5-9-18(20)23(28)11-13-26(14-12-23)15-21(27)25-22-24-19(16-30-22)17-7-3-2-4-8-17/h2-10,16,28H,11-15H2,1H3,(H,24,25,27)
InChIKeyLWLWRZWVYKRBPE-UHFFFAOYSA-N
XLogP3.74
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 3228839) is 2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is COc1ccccc1C1(O)CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LWLWRZWVYKRBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-29-20-10-6-5-9-18(20)23(28)11-13-26(14-12-23)15-21(27)25-22-24-19(16-30-22)17-7-3-2-4-8-17/h2-10,16,28H,11-15H2,1H3,(H,24,25,27).
What are the key properties of 2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3228839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).