2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C22H27N3O4S — CID 55591308

About 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 55591308) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 55591308
• Molecular Formula: C22H27N3O4S
• Molecular Weight: 429.54 g/mol
• Exact Mass: 429.17
• IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
• SMILES: Cc1nc(NC(=O)C(C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)sc1C
• InChI: InChI=1S/C22H27N3O4S/c1-13-15(3)30-22(23-13)24-21(27)14(2)25-8-6-16(7-9-25)20(26)17-4-5-18-19(12-17)29-11-10-28-18/h4-5,12,14,16H,6-11H2,1-3H3,(H,23,24,27)
• InChIKey: RQFBAXOJSTXRNY-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.54
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?

The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 55591308) is 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is Cc1nc(NC(=O)C(C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)sc1C.

What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?

The InChIKey is RQFBAXOJSTXRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-13-15(3)30-22(23-13)24-21(27)14(2)25-8-6-16(7-9-25)20(26)17-4-5-18-19(12-17)29-11-10-28-18/h4-5,12,14,16H,6-11H2,1-3H3,(H,23,24,27).

What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?

2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 429.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 55591308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).