10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole

C46H48N6O2 — CID 15156563

About 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole

10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole (PubChem CID 15156563) has the molecular formula C46H48N6O2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole.

Molecular Properties

• Compound Name: 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole
• PubChem CID: 15156563
• Molecular Formula: C46H48N6O2
• Molecular Weight: 716.93 g/mol
• Exact Mass: 716.38
• IUPAC Name: 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole
• SMILES: COc1ccc2c(c1)c1c3cnccc3ccc1n2CCN1CCC(C2CCN(CCn3c4ccc(OC)cc4c4c5cnccc5ccc43)CC2)CC1
• InChI: InChI=1S/C46H48N6O2/c1-53-35-5-9-41-37(27-35)45-39-29-47-17-11-33(39)3-7-43(45)51(41)25-23-49-19-13-31(14-20-49)32-15-21-50(22-16-32)24-26-52-42-10-6-36(54-2)28-38(42)46-40-30-48-18-12-34(40)4-8-44(46)52/h3-12,17-18,27-32H,13-16,19-26H2,1-2H3
• InChIKey: RMKPSOBESJEBKD-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 60.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.93
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole?

The IUPAC name of 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole (CID 15156563) is 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole.

What is the SMILES notation for 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole?

The canonical SMILES for 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole is COc1ccc2c(c1)c1c3cnccc3ccc1n2CCN1CCC(C2CCN(CCn3c4ccc(OC)cc4c4c5cnccc5ccc43)CC2)CC1.

What is the InChIKey of 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole?

The InChIKey is RMKPSOBESJEBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N6O2/c1-53-35-5-9-41-37(27-35)45-39-29-47-17-11-33(39)3-7-43(45)51(41)25-23-49-19-13-31(14-20-49)32-15-21-50(22-16-32)24-26-52-42-10-6-36(54-2)28-38(42)46-40-30-48-18-12-34(40)4-8-44(46)52/h3-12,17-18,27-32H,13-16,19-26H2,1-2H3.

What are the key properties of 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole?

10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole has a molecular weight of 716.93 g/mol, XLogP of 9.14, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole is sourced from PubChem (CID 15156563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).