2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3N3O2 — CID 79735389

IUPAC2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCCOC1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O2/c13-12(14,15)9-17-11(19)8-18-5-2-10(3-6-18)20-7-1-4-16/h10H,1-9,16H2,(H,17,19)
InChIKeyBJQPGMWXHLQOMD-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.49
Rot. Bonds7

About 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79735389) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79735389
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCCOC1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O2/c13-12(14,15)9-17-11(19)8-18-5-2-10(3-6-18)20-7-1-4-16/h10H,1-9,16H2,(H,17,19)
InChIKeyBJQPGMWXHLQOMD-UHFFFAOYSA-N
XLogP0.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 79735389) is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCCCOC1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BJQPGMWXHLQOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c13-12(14,15)9-17-11(19)8-18-5-2-10(3-6-18)20-7-1-4-16/h10H,1-9,16H2,(H,17,19).
What are the key properties of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 297.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79735389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).