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

C17H24ClF3N2O — CID 120554725

IUPACN-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCCC(C(=O)NC1CCNCC1C)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-3-14(12-5-4-6-13(9-12)17(18,19)20)16(23)22-15-7-8-21-10-11(15)2;/h4-6,9,11,14-15,21H,3,7-8,10H2,1-2H3,(H,22,23);1H
InChIKeyVLKPCSSDLGBWME-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.73
Rot. Bonds4

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

N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 120554725) has the molecular formula C17H24ClF3N2O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID120554725
Molecular FormulaC17H24ClF3N2O
Molecular Weight364.84 g/mol
Exact Mass364.15
IUPAC NameN-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCCC(C(=O)NC1CCNCC1C)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-3-14(12-5-4-6-13(9-12)17(18,19)20)16(23)22-15-7-8-21-10-11(15)2;/h4-6,9,11,14-15,21H,3,7-8,10H2,1-2H3,(H,22,23);1H
InChIKeyVLKPCSSDLGBWME-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 119388692
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide
CID 134068455
N-(3-methylpiperidin-4-yl)-2-phenylpentanamide
CID 120556814
1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119402443
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119628819
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 120996972
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 120554725) is N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride is CCC(C(=O)NC1CCNCC1C)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is VLKPCSSDLGBWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O.ClH/c1-3-14(12-5-4-6-13(9-12)17(18,19)20)16(23)22-15-7-8-21-10-11(15)2;/h4-6,9,11,14-15,21H,3,7-8,10H2,1-2H3,(H,22,23);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 120554725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).