N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine

C23H38N4O — CID 74610318

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine (PubChem CID 74610318) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine
• PubChem CID: 74610318
• Molecular Formula: C23H38N4O
• Molecular Weight: 386.58 g/mol
• Exact Mass: 386.30
• IUPAC Name: N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine
• SMILES: COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)CC1CC(C)NN1
• InChI: InChI=1S/C23H38N4O/c1-18-12-22(25-24-18)17-26(10-11-28-2)15-19-6-5-9-27(16-19)23-13-20-7-3-4-8-21(20)14-23/h3-4,7-8,18-19,22-25H,5-6,9-17H2,1-2H3
• InChIKey: MHOIAJMXPVRSOG-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 39.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.58
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine (CID 74610318) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine.

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

The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)CC1CC(C)NN1.

What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine?

The InChIKey is MHOIAJMXPVRSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O/c1-18-12-22(25-24-18)17-26(10-11-28-2)15-19-6-5-9-27(16-19)23-13-20-7-3-4-8-21(20)14-23/h3-4,7-8,18-19,22-25H,5-6,9-17H2,1-2H3.

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine has a molecular weight of 386.58 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 74610318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).