[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate

C33H42N6O3 — CID 10793176

About [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate

[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate (PubChem CID 10793176) has the molecular formula C33H42N6O3 and a molecular weight of 570.74 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
• PubChem CID: 10793176
• Molecular Formula: C33H42N6O3
• Molecular Weight: 570.74 g/mol
• Exact Mass: 570.33
• IUPAC Name: [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
• SMILES: Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N4CCC(N5CCCCC5)CC4)ccc3n(C)c12
• InChI: InChI=1S/C33H42N6O3/c1-22-25-10-13-34-30(32(40)35-14-19-36(2)3)27(25)21-28-26-20-24(8-9-29(26)37(4)31(22)28)42-33(41)39-17-11-23(12-18-39)38-15-6-5-7-16-38/h8-10,13,20-21,23H,5-7,11-12,14-19H2,1-4H3,(H,35,40)
• InChIKey: AVPDFVWTPKVVLU-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 82.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.74
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate?

The IUPAC name of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate (CID 10793176) is [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate.

What is the SMILES notation for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate?

The canonical SMILES for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate is Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N4CCC(N5CCCCC5)CC4)ccc3n(C)c12.

What is the InChIKey of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate?

The InChIKey is AVPDFVWTPKVVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O3/c1-22-25-10-13-34-30(32(40)35-14-19-36(2)3)27(25)21-28-26-20-24(8-9-29(26)37(4)31(22)28)42-33(41)39-17-11-23(12-18-39)38-15-6-5-7-16-38/h8-10,13,20-21,23H,5-7,11-12,14-19H2,1-4H3,(H,35,40).

What are the key properties of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate?

[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate has a molecular weight of 570.74 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-piperidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 10793176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).