3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

C23H30N2O4 — CID 42565210

About 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 42565210) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
• PubChem CID: 42565210
• Molecular Formula: C23H30N2O4
• Molecular Weight: 398.50 g/mol
• Exact Mass: 398.22
• IUPAC Name: 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
• SMILES: Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)o1
• InChI: InChI=1S/C23H30N2O4/c1-17-4-7-20(29-17)14-24-23(26)9-6-18-3-2-10-25(15-18)16-19-5-8-21-22(13-19)28-12-11-27-21/h4-5,7-8,13,18H,2-3,6,9-12,14-16H2,1H3,(H,24,26)/t18-/m1/s1
• InChIKey: JYGAJIZILRMCHP-GOSISDBHSA-N
• XLogP: 3.67
• TPSA: 63.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.50
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

The IUPAC name of 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 42565210) is 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide.

What is the SMILES notation for 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

The canonical SMILES for 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)o1.

What is the InChIKey of 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

The InChIKey is JYGAJIZILRMCHP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17-4-7-20(29-17)14-24-23(26)9-6-18-3-2-10-25(15-18)16-19-5-8-21-22(13-19)28-12-11-27-21/h4-5,7-8,13,18H,2-3,6,9-12,14-16H2,1H3,(H,24,26)/t18-/m1/s1.

What are the key properties of 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 398.50 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 42565210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).