3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C15H25ClF3N5O — CID 120911475

About 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120911475) has the molecular formula C15H25ClF3N5O and a molecular weight of 383.85 g/mol. Its IUPAC name is 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
• PubChem CID: 120911475
• Molecular Formula: C15H25ClF3N5O
• Molecular Weight: 383.85 g/mol
• Exact Mass: 383.17
• IUPAC Name: 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
• SMILES: Cl.NCCC(=O)NCC1CCCCN1Cc1nccn1CC(F)(F)F
• InChI: InChI=1S/C15H24F3N5O.ClH/c16-15(17,18)11-23-8-6-20-13(23)10-22-7-2-1-3-12(22)9-21-14(24)4-5-19;/h6,8,12H,1-5,7,9-11,19H2,(H,21,24);1H
• InChIKey: HAJHFRITADYFLR-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 76.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.85
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?

The IUPAC name of 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120911475) is 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

What is the SMILES notation for 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?

The canonical SMILES for 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1Cc1nccn1CC(F)(F)F.

What is the InChIKey of 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?

The InChIKey is HAJHFRITADYFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O.ClH/c16-15(17,18)11-23-8-6-20-13(23)10-22-7-2-1-3-12(22)9-21-14(24)4-5-19;/h6,8,12H,1-5,7,9-11,19H2,(H,21,24);1H.

What are the key properties of 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?

3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 383.85 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120911475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).