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

C20H29N5O2 — CID 60568591

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

N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 60568591) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
• PubChem CID: 60568591
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
• SMILES: CC1CCCN(C(C)(C)CNC(=O)CCn2nnc3ccccc3c2=O)C1
• InChI: InChI=1S/C20H29N5O2/c1-15-7-6-11-24(13-15)20(2,3)14-21-18(26)10-12-25-19(27)16-8-4-5-9-17(16)22-23-25/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,26)
• InChIKey: XULYJRINAAZNQM-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 60568591) is N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

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

The canonical SMILES for N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is CC1CCCN(C(C)(C)CNC(=O)CCn2nnc3ccccc3c2=O)C1.

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

The InChIKey is XULYJRINAAZNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-7-6-11-24(13-15)20(2,3)14-21-18(26)10-12-25-19(27)16-8-4-5-9-17(16)22-23-25/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,26).

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

N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 371.49 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 60568591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).