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

C17H24ClF3N2O — CID 120575190

IUPAC2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-11(16(23)22-15-4-3-9-21-12(15)2)10-13-5-7-14(8-6-13)17(18,19)20;/h5-8,11-12,15,21H,3-4,9-10H2,1-2H3,(H,22,23);1H
InChIKeyCRGYVIFUKJZEQV-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.56
Rot. Bonds4

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

2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride (PubChem CID 120575190) has the molecular formula C17H24ClF3N2O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
PubChem CID120575190
Molecular FormulaC17H24ClF3N2O
Molecular Weight364.84 g/mol
Exact Mass364.15
IUPAC Name2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-11(16(23)22-15-4-3-9-21-12(15)2)10-13-5-7-14(8-6-13)17(18,19)20;/h5-8,11-12,15,21H,3-4,9-10H2,1-2H3,(H,22,23);1H
InChIKeyCRGYVIFUKJZEQV-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 56793953
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119613878
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119613879
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119601607
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 120943626
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 120576871
N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461371
2-methyl-1-[4-(methylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119560684

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride (CID 120575190) is 2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride is CC(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The InChIKey is CRGYVIFUKJZEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O.ClH/c1-11(16(23)22-15-4-3-9-21-12(15)2)10-13-5-7-14(8-6-13)17(18,19)20;/h5-8,11-12,15,21H,3-4,9-10H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride?
2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120575190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).