7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole

C30H37N5 — CID 170936017

About 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole

7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole (PubChem CID 170936017) has the molecular formula C30H37N5 and a molecular weight of 467.66 g/mol. Its IUPAC name is 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole
• PubChem CID: 170936017
• Molecular Formula: C30H37N5
• Molecular Weight: 467.66 g/mol
• Exact Mass: 467.30
• IUPAC Name: 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole
• SMILES: CCC1CCN(CC2CCN(c3ccc(-c4ccc5c6cnccc6n(C)c5c4)cn3)CC2)CC1
• InChI: InChI=1S/C30H37N5/c1-3-22-9-14-34(15-10-22)21-23-11-16-35(17-12-23)30-7-5-25(19-32-30)24-4-6-26-27-20-31-13-8-28(27)33(2)29(26)18-24/h4-8,13,18-20,22-23H,3,9-12,14-17,21H2,1-2H3
• InChIKey: OZZUBWNNFZNZDV-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.66
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole?

The IUPAC name of 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole (CID 170936017) is 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole.

What is the SMILES notation for 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole?

The canonical SMILES for 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole is CCC1CCN(CC2CCN(c3ccc(-c4ccc5c6cnccc6n(C)c5c4)cn3)CC2)CC1.

What is the InChIKey of 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole?

The InChIKey is OZZUBWNNFZNZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5/c1-3-22-9-14-34(15-10-22)21-23-11-16-35(17-12-23)30-7-5-25(19-32-30)24-4-6-26-27-20-31-13-8-28(27)33(2)29(26)18-24/h4-8,13,18-20,22-23H,3,9-12,14-17,21H2,1-2H3.

What are the key properties of 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole?

7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole has a molecular weight of 467.66 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole is sourced from PubChem (CID 170936017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).