1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide

C26H26N8O2 — CID 20874881

About 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide

1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide (PubChem CID 20874881) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide
• PubChem CID: 20874881
• Molecular Formula: C26H26N8O2
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.22
• IUPAC Name: 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide
• SMILES: NC(=O)C1CCN(C(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)CC1
• InChI: InChI=1S/C26H26N8O2/c27-23(36)17-13-15-32(16-14-17)22(35)12-6-11-21-29-30-26-33(21)20-10-5-4-9-19(20)25-28-24(31-34(25)26)18-7-2-1-3-8-18/h1-5,7-10,17H,6,11-16H2,(H2,27,36)
• InChIKey: SJRCUWIVVBPRIQ-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 123.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide?

The IUPAC name of 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide (CID 20874881) is 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)CC1.

What is the InChIKey of 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide?

The InChIKey is SJRCUWIVVBPRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c27-23(36)17-13-15-32(16-14-17)22(35)12-6-11-21-29-30-26-33(21)20-10-5-4-9-19(20)25-28-24(31-34(25)26)18-7-2-1-3-8-18/h1-5,7-10,17H,6,11-16H2,(H2,27,36).

What are the key properties of 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide?

1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20874881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).