N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine

C25H32N4O2 — CID 45206715

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine (PubChem CID 45206715) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

• Compound Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine
• PubChem CID: 45206715
• Molecular Formula: C25H32N4O2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.25
• IUPAC Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine
• SMILES: COCCN(Cc1ccc2nonc2c1)CC1CCCN(C2Cc3ccccc3C2)C1
• InChI: InChI=1S/C25H32N4O2/c1-30-12-11-28(16-19-8-9-24-25(13-19)27-31-26-24)17-20-5-4-10-29(18-20)23-14-21-6-2-3-7-22(21)15-23/h2-3,6-9,13,20,23H,4-5,10-12,14-18H2,1H3
• InChIKey: FSNYSBYOQHDANV-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 54.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine?

The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine (CID 45206715) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine.

What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine?

The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine is COCCN(Cc1ccc2nonc2c1)CC1CCCN(C2Cc3ccccc3C2)C1.

What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine?

The InChIKey is FSNYSBYOQHDANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-30-12-11-28(16-19-8-9-24-25(13-19)27-31-26-24)17-20-5-4-10-29(18-20)23-14-21-6-2-3-7-22(21)15-23/h2-3,6-9,13,20,23H,4-5,10-12,14-18H2,1H3.

What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine?

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 420.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 45206715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).