8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C33H40N4O — CID 175798713

About 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 175798713) has the molecular formula C33H40N4O and a molecular weight of 508.71 g/mol. Its IUPAC name is 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
• PubChem CID: 175798713
• Molecular Formula: C33H40N4O
• Molecular Weight: 508.71 g/mol
• Exact Mass: 508.32
• IUPAC Name: 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
• SMILES: CCc1cc2c(cc1N1CCC(CC3CCCCC3)CC1N)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
• InChI: InChI=1S/C33H40N4O/c1-4-23-17-25-26(18-28(23)37-13-12-21(16-29(37)35)14-20-8-6-5-7-9-20)33(2,3)32-30(31(25)38)24-11-10-22(19-34)15-27(24)36-32/h10-11,15,17-18,20-21,29,36H,4-9,12-14,16,35H2,1-3H3
• InChIKey: LQVQUAZOIDFIMZ-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 85.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.71
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?

The IUPAC name of 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 175798713) is 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

What is the SMILES notation for 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?

The canonical SMILES for 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CCc1cc2c(cc1N1CCC(CC3CCCCC3)CC1N)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.

What is the InChIKey of 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?

The InChIKey is LQVQUAZOIDFIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O/c1-4-23-17-25-26(18-28(23)37-13-12-21(16-29(37)35)14-20-8-6-5-7-9-20)33(2,3)32-30(31(25)38)24-11-10-22(19-34)15-27(24)36-32/h10-11,15,17-18,20-21,29,36H,4-9,12-14,16,35H2,1-3H3.

What are the key properties of 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?

8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 508.71 g/mol, XLogP of 6.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 175798713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).