3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride

C19H23Cl2F3N4O — CID 24842245

IUPAC3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride
SMILESCl.Cl.NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)C(c2ccccn2)C1
InChIInChI=1S/C19H21F3N4O.2ClH/c20-19(21,22)14-4-3-5-15(12-14)26-11-10-25(9-7-18(23)27)13-17(26)16-6-1-2-8-24-16;;/h1-6,8,12,17H,7,9-11,13H2,(H2,23,27);2*1H
InChIKeyVXWPTBJKGWUGHH-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.68
Rot. Bonds5

About 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride

3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride (PubChem CID 24842245) has the molecular formula C19H23Cl2F3N4O and a molecular weight of 451.32 g/mol. Its IUPAC name is 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride
PubChem CID24842245
Molecular FormulaC19H23Cl2F3N4O
Molecular Weight451.32 g/mol
Exact Mass450.12
IUPAC Name3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride
SMILESCl.Cl.NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)C(c2ccccn2)C1
InChIInChI=1S/C19H21F3N4O.2ClH/c20-19(21,22)14-4-3-5-15(12-14)26-11-10-25(9-7-18(23)27)13-17(26)16-6-1-2-8-24-16;;/h1-6,8,12,17H,7,9-11,13H2,(H2,23,27);2*1H
InChIKeyVXWPTBJKGWUGHH-UHFFFAOYSA-N
XLogP3.68
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride 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 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride?
The IUPAC name of 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride (CID 24842245) is 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride.
What is the SMILES notation for 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride?
The canonical SMILES for 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride is Cl.Cl.NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)C(c2ccccn2)C1.
What is the InChIKey of 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride?
The InChIKey is VXWPTBJKGWUGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O.2ClH/c20-19(21,22)14-4-3-5-15(12-14)26-11-10-25(9-7-18(23)27)13-17(26)16-6-1-2-8-24-16;;/h1-6,8,12,17H,7,9-11,13H2,(H2,23,27);2*1H.
What are the key properties of 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride?
3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride has a molecular weight of 451.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide;dihydrochloride is sourced from PubChem (CID 24842245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).