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

C17H24ClF3N2O — CID 119464051

IUPACN-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCC1CCCNC1)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-12(14-6-2-3-7-15(14)17(18,19)20)9-16(23)22-11-13-5-4-8-21-10-13;/h2-3,6-7,12-13,21H,4-5,8-11H2,1H3,(H,22,23);1H
InChIKeyQGMRDIVRALPYJG-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.74
Rot. Bonds5

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

N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 119464051) has the molecular formula C17H24ClF3N2O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID119464051
Molecular FormulaC17H24ClF3N2O
Molecular Weight364.84 g/mol
Exact Mass364.15
IUPAC NameN-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCC1CCCNC1)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-12(14-6-2-3-7-15(14)17(18,19)20)9-16(23)22-11-13-5-4-8-21-10-13;/h2-3,6-7,12-13,21H,4-5,8-11H2,1H3,(H,22,23);1H
InChIKeyQGMRDIVRALPYJG-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119460874
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602
N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119389907
3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119461609
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
3-phenyl-N-(piperidin-3-ylmethyl)pentanamide
CID 119464003
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119408524
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
CID 119464064
N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 62313468
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119575539

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 119464051) is N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride is CC(CC(=O)NCC1CCCNC1)c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is QGMRDIVRALPYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O.ClH/c1-12(14-6-2-3-7-15(14)17(18,19)20)9-16(23)22-11-13-5-4-8-21-10-13;/h2-3,6-7,12-13,21H,4-5,8-11H2,1H3,(H,22,23);1H.
What are the key properties of N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119464051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).