8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole

C33H57N5 — CID 140888826

About 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole

8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole (PubChem CID 140888826) has the molecular formula C33H57N5 and a molecular weight of 523.85 g/mol. Its IUPAC name is 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole
• PubChem CID: 140888826
• Molecular Formula: C33H57N5
• Molecular Weight: 523.85 g/mol
• Exact Mass: 523.46
• IUPAC Name: 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole
• SMILES: C1CCC2C(C1)C1CCCCC1N2C1CCC2C(C1)C1CNCCC1N2C1CCC(C2CNCCN2)CC1
• InChI: InChI=1S/C33H57N5/c1-3-7-30-25(5-1)26-6-2-4-8-31(26)38(30)24-13-14-32-27(19-24)28-20-34-16-15-33(28)37(32)23-11-9-22(10-12-23)29-21-35-17-18-36-29/h22-36H,1-21H2
• InChIKey: FRCBHFXNAHZECG-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 42.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.85
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole?

The IUPAC name of 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole (CID 140888826) is 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole.

What is the SMILES notation for 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole?

The canonical SMILES for 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole is C1CCC2C(C1)C1CCCCC1N2C1CCC2C(C1)C1CNCCC1N2C1CCC(C2CNCCN2)CC1.

What is the InChIKey of 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole?

The InChIKey is FRCBHFXNAHZECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H57N5/c1-3-7-30-25(5-1)26-6-2-4-8-31(26)38(30)24-13-14-32-27(19-24)28-20-34-16-15-33(28)37(32)23-11-9-22(10-12-23)29-21-35-17-18-36-29/h22-36H,1-21H2.

What are the key properties of 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole?

8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole has a molecular weight of 523.85 g/mol, XLogP of 4.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole is sourced from PubChem (CID 140888826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).