2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide

C22H28FN3O3S — CID 53103698

IUPAC2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C22H28FN3O3S/c1-15-20(30-21(25-15)17-4-6-18(23)7-5-17)22(28)26-11-8-16(9-12-26)14-19(27)24-10-3-13-29-2/h4-7,16H,3,8-14H2,1-2H3,(H,24,27)
InChIKeyUKUHYSXWPQTOSZ-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.65
Rot. Bonds8

About 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide

2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 53103698) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide
PubChem CID53103698
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C22H28FN3O3S/c1-15-20(30-21(25-15)17-4-6-18(23)7-5-17)22(28)26-11-8-16(9-12-26)14-19(27)24-10-3-13-29-2/h4-7,16H,3,8-14H2,1-2H3,(H,24,27)
InChIKeyUKUHYSXWPQTOSZ-UHFFFAOYSA-N
XLogP3.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide (CID 53103698) is 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is UKUHYSXWPQTOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-15-20(30-21(25-15)17-4-6-18(23)7-5-17)22(28)26-11-8-16(9-12-26)14-19(27)24-10-3-13-29-2/h4-7,16H,3,8-14H2,1-2H3,(H,24,27).
What are the key properties of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide?
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 433.55 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 53103698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).