6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile

C31H36N4O2 — CID 57403410

About 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile

6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 57403410) has the molecular formula C31H36N4O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile
• PubChem CID: 57403410
• Molecular Formula: C31H36N4O2
• Molecular Weight: 496.66 g/mol
• Exact Mass: 496.28
• IUPAC Name: 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile
• SMILES: CCCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
• InChI: InChI=1S/C31H36N4O2/c1-4-5-21-17-24-25(18-27(21)35-10-8-22(9-11-35)34-12-14-37-15-13-34)31(2,3)30-28(29(24)36)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,4-5,8-15H2,1-3H3
• InChIKey: RTXGTUWRJFXBLJ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 72.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.66
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile?

The IUPAC name of 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile (CID 57403410) is 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile.

What is the SMILES notation for 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile?

The canonical SMILES for 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile is CCCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.

What is the InChIKey of 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile?

The InChIKey is RTXGTUWRJFXBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2/c1-4-5-21-17-24-25(18-27(21)35-10-8-22(9-11-35)34-12-14-37-15-13-34)31(2,3)30-28(29(24)36)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,4-5,8-15H2,1-3H3.

What are the key properties of 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile?

6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 496.66 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 57403410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).