(3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

C18H20N4O4S — CID 51961786

About (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

(3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (PubChem CID 51961786) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
• PubChem CID: 51961786
• Molecular Formula: C18H20N4O4S
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.12
• IUPAC Name: (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
• SMILES: O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1
• InChI: InChI=1S/C18H20N4O4S/c23-16(21-17-19-5-7-27-17)13-2-1-6-22(10-13)18(24)20-9-12-3-4-14-15(8-12)26-11-25-14/h3-5,7-8,13H,1-2,6,9-11H2,(H,20,24)(H,19,21,23)/t13-/m1/s1
• InChIKey: IGWOEIYGWMUFQS-CYBMUJFWSA-N
• XLogP: 2.43
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?

The IUPAC name of (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (CID 51961786) is (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.

What is the SMILES notation for (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?

The canonical SMILES for (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1.

What is the InChIKey of (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?

The InChIKey is IGWOEIYGWMUFQS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O4S/c23-16(21-17-19-5-7-27-17)13-2-1-6-22(10-13)18(24)20-9-12-3-4-14-15(8-12)26-11-25-14/h3-5,7-8,13H,1-2,6,9-11H2,(H,20,24)(H,19,21,23)/t13-/m1/s1.

What are the key properties of (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?

(3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51961786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).