5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C25H30N4O3 — CID 73134676

About 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 73134676) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 73134676
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: CC(=O)N1CCC(Nc2ccc3n(c2=O)CC2CC3CN(C(=O)c3ccccc3)C2)CC1
• InChI: InChI=1S/C25H30N4O3/c1-17(30)27-11-9-21(10-12-27)26-22-7-8-23-20-13-18(15-29(23)25(22)32)14-28(16-20)24(31)19-5-3-2-4-6-19/h2-8,18,20-21,26H,9-16H2,1H3
• InChIKey: LENRWNRJKIVNOJ-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 74.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 73134676) is 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is CC(=O)N1CCC(Nc2ccc3n(c2=O)CC2CC3CN(C(=O)c3ccccc3)C2)CC1.

What is the InChIKey of 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is LENRWNRJKIVNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(30)27-11-9-21(10-12-27)26-22-7-8-23-20-13-18(15-29(23)25(22)32)14-28(16-20)24(31)19-5-3-2-4-6-19/h2-8,18,20-21,26H,9-16H2,1H3.

What are the key properties of 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 434.54 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1-acetylpiperidin-4-yl)amino]-11-benzoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 73134676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).