2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one

C25H28N2O2 — CID 19927838

About 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one

2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one (PubChem CID 19927838) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one.

Molecular Properties

• Compound Name: 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one
• PubChem CID: 19927838
• Molecular Formula: C25H28N2O2
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.22
• IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one
• SMILES: COc1cccc2[nH]c3c(c12)CC(CC1CCN(Cc2ccccc2)CC1)C3=O
• InChI: InChI=1S/C25H28N2O2/c1-29-22-9-5-8-21-23(22)20-15-19(25(28)24(20)26-21)14-17-10-12-27(13-11-17)16-18-6-3-2-4-7-18/h2-9,17,19,26H,10-16H2,1H3
• InChIKey: SWKQTHJZSVRJTG-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 45.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one?

The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one (CID 19927838) is 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one.

What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one?

The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one is COc1cccc2[nH]c3c(c12)CC(CC1CCN(Cc2ccccc2)CC1)C3=O.

What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one?

The InChIKey is SWKQTHJZSVRJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-29-22-9-5-8-21-23(22)20-15-19(25(28)24(20)26-21)14-17-10-12-27(13-11-17)16-18-6-3-2-4-7-18/h2-9,17,19,26H,10-16H2,1H3.

What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one?

2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one has a molecular weight of 388.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one is sourced from PubChem (CID 19927838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).