N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride

C16H22ClF3N2O — CID 119389907

IUPACN-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)NC1CCNCC1)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11(10-15(22)21-12-6-8-20-9-7-12)13-4-2-3-5-14(13)16(17,18)19;/h2-5,11-12,20H,6-10H2,1H3,(H,21,22);1H
InChIKeyJAUUODUABOPGKS-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.49
Rot. Bonds4

About N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride

N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 119389907) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID119389907
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC NameN-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)NC1CCNCC1)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11(10-15(22)21-12-6-8-20-9-7-12)13-4-2-3-5-14(13)16(17,18)19;/h2-5,11-12,20H,6-10H2,1H3,(H,21,22);1H
InChIKeyJAUUODUABOPGKS-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-fluorophenyl)-N-piperidin-4-ylbutanamide
CID 119390456
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602
N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119464051
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119575539
3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221373
N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119408524
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride
CID 119459616
1-(3-piperazin-1-ylpyrrolidin-1-yl)-3-[2-(trifluoromethyl)phenyl]butan-1-one
CID 120997643
2-methyl-3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]propanoic acid
CID 119237428
(3S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[2-(trifluoromethyl)phenyl]butan-1-one
CID 124779347
N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride
CID 119475413
N-piperidin-3-yl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119426295

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 119389907) is N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride is CC(CC(=O)NC1CCNCC1)c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is JAUUODUABOPGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O.ClH/c1-11(10-15(22)21-12-6-8-20-9-7-12)13-4-2-3-5-14(13)16(17,18)19;/h2-5,11-12,20H,6-10H2,1H3,(H,21,22);1H.
What are the key properties of N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 350.81 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119389907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).