3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride

C19H28ClF3N2O — CID 119733513

IUPAC3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C19H27F3N2O.ClH/c1-13(16-7-9-23-10-8-16)11-18(25)24-14(2)12-15-3-5-17(6-4-15)19(20,21)22;/h3-6,13-14,16,23H,7-12H2,1-2H3,(H,24,25);1H
InChIKeyNATLRTPPHKMITK-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.20
Rot. Bonds6

About 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride

3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride (PubChem CID 119733513) has the molecular formula C19H28ClF3N2O and a molecular weight of 392.89 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
PubChem CID119733513
Molecular FormulaC19H28ClF3N2O
Molecular Weight392.89 g/mol
Exact Mass392.18
IUPAC Name3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C19H27F3N2O.ClH/c1-13(16-7-9-23-10-8-16)11-18(25)24-14(2)12-15-3-5-17(6-4-15)19(20,21)22;/h3-6,13-14,16,23H,7-12H2,1-2H3,(H,24,25);1H
InChIKeyNATLRTPPHKMITK-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]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-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119806695
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119707018
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119808542
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 103977076
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772626
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771431
3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
CID 119698638
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride (CID 119733513) is 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride is CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride?
The InChIKey is NATLRTPPHKMITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O.ClH/c1-13(16-7-9-23-10-8-16)11-18(25)24-14(2)12-15-3-5-17(6-4-15)19(20,21)22;/h3-6,13-14,16,23H,7-12H2,1-2H3,(H,24,25);1H.
What are the key properties of 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride?
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 119733513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).