N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine

C22H30N2O4 — CID 25385850

About N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 25385850) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

• Compound Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine
• PubChem CID: 25385850
• Molecular Formula: C22H30N2O4
• Molecular Weight: 386.49 g/mol
• Exact Mass: 386.22
• IUPAC Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine
• SMILES: COc1cc(CN(C)CC2CCN(Cc3ccc(C)o3)CC2)cc2c1OCO2
• InChI: InChI=1S/C22H30N2O4/c1-16-4-5-19(28-16)14-24-8-6-17(7-9-24)12-23(2)13-18-10-20(25-3)22-21(11-18)26-15-27-22/h4-5,10-11,17H,6-9,12-15H2,1-3H3
• InChIKey: NUBVSMHAKMZUFR-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 47.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.49
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine?

The IUPAC name of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine (CID 25385850) is N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine.

What is the SMILES notation for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine?

The canonical SMILES for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine is COc1cc(CN(C)CC2CCN(Cc3ccc(C)o3)CC2)cc2c1OCO2.

What is the InChIKey of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine?

The InChIKey is NUBVSMHAKMZUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-16-4-5-19(28-16)14-24-8-6-17(7-9-24)12-23(2)13-18-10-20(25-3)22-21(11-18)26-15-27-22/h4-5,10-11,17H,6-9,12-15H2,1-3H3.

What are the key properties of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine?

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 386.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 25385850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).