3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide

C20H30N6O — CID 120911408

About 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120911408) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide
• PubChem CID: 120911408
• Molecular Formula: C20H30N6O
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.25
• IUPAC Name: 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide
• SMILES: Cc1cc(C)cc(-n2ncc(CN3CCCCC3CNC(=O)CCN)n2)c1
• InChI: InChI=1S/C20H30N6O/c1-15-9-16(2)11-19(10-15)26-23-12-17(24-26)14-25-8-4-3-5-18(25)13-22-20(27)6-7-21/h9-12,18H,3-8,13-14,21H2,1-2H3,(H,22,27)
• InChIKey: ZUGDTNOJZLYCPT-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 89.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide?

The IUPAC name of 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide (CID 120911408) is 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide.

What is the SMILES notation for 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide?

The canonical SMILES for 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide is Cc1cc(C)cc(-n2ncc(CN3CCCCC3CNC(=O)CCN)n2)c1.

What is the InChIKey of 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide?

The InChIKey is ZUGDTNOJZLYCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15-9-16(2)11-19(10-15)26-23-12-17(24-26)14-25-8-4-3-5-18(25)13-22-20(27)6-7-21/h9-12,18H,3-8,13-14,21H2,1-2H3,(H,22,27).

What are the key properties of 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide?

3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 370.50 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120911408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).