N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H23N3O3S — CID 51152784

About N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 51152784) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• PubChem CID: 51152784
• Molecular Formula: C19H23N3O3S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.15
• IUPAC Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• SMILES: CC1CCN(Cc2csc(NC(=O)C3COc4ccccc4O3)n2)CC1
• InChI: InChI=1S/C19H23N3O3S/c1-13-6-8-22(9-7-13)10-14-12-26-19(20-14)21-18(23)17-11-24-15-4-2-3-5-16(15)25-17/h2-5,12-13,17H,6-11H2,1H3,(H,20,21,23)
• InChIKey: JHQYVLLSADDMGP-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 51152784) is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1CCN(Cc2csc(NC(=O)C3COc4ccccc4O3)n2)CC1.

What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The InChIKey is JHQYVLLSADDMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-6-8-22(9-7-13)10-14-12-26-19(20-14)21-18(23)17-11-24-15-4-2-3-5-16(15)25-17/h2-5,12-13,17H,6-11H2,1H3,(H,20,21,23).

What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 51152784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).