3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide

C19H27N5O2 — CID 51128222

About 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide (PubChem CID 51128222) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
• PubChem CID: 51128222
• Molecular Formula: C19H27N5O2
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.22
• IUPAC Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
• SMILES: CC(C)N1CCCC(CNC(=O)CCn2nnc3ccccc3c2=O)C1
• InChI: InChI=1S/C19H27N5O2/c1-14(2)23-10-5-6-15(13-23)12-20-18(25)9-11-24-19(26)16-7-3-4-8-17(16)21-22-24/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,20,25)
• InChIKey: OFQWOLQIGXSUGJ-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide?

The IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide (CID 51128222) is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide.

What is the SMILES notation for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide?

The canonical SMILES for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide is CC(C)N1CCCC(CNC(=O)CCn2nnc3ccccc3c2=O)C1.

What is the InChIKey of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide?

The InChIKey is OFQWOLQIGXSUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(2)23-10-5-6-15(13-23)12-20-18(25)9-11-24-19(26)16-7-3-4-8-17(16)21-22-24/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,20,25).

What are the key properties of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide?

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide has a molecular weight of 357.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide is sourced from PubChem (CID 51128222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).