3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one

C20H26N6O3 — CID 46531598

About 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one

3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one (PubChem CID 46531598) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

• Compound Name: 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one
• PubChem CID: 46531598
• Molecular Formula: C20H26N6O3
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.21
• IUPAC Name: 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one
• SMILES: O=C(CCn1nnc2ccccc2c1=O)N1CCN(C(=O)N2CCCCC2)CC1
• InChI: InChI=1S/C20H26N6O3/c27-18(8-11-26-19(28)16-6-2-3-7-17(16)21-22-26)23-12-14-25(15-13-23)20(29)24-9-4-1-5-10-24/h2-3,6-7H,1,4-5,8-15H2
• InChIKey: QMVOYNFBPSZTCH-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 91.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one?

The IUPAC name of 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one (CID 46531598) is 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one.

What is the SMILES notation for 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one?

The canonical SMILES for 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one is O=C(CCn1nnc2ccccc2c1=O)N1CCN(C(=O)N2CCCCC2)CC1.

What is the InChIKey of 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one?

The InChIKey is QMVOYNFBPSZTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c27-18(8-11-26-19(28)16-6-2-3-7-17(16)21-22-26)23-12-14-25(15-13-23)20(29)24-9-4-1-5-10-24/h2-3,6-7H,1,4-5,8-15H2.

What are the key properties of 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one?

3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one has a molecular weight of 398.47 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 46531598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).