2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride

C15H22Cl2F3N3O — CID 119828236

IUPAC2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
SMILESCNCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1.Cl.Cl
InChIInChI=1S/C15H20F3N3O.2ClH/c1-19-10-14(22)20-12-9-11(15(16,17)18)5-6-13(12)21-7-3-2-4-8-21;;/h5-6,9,19H,2-4,7-8,10H2,1H3,(H,20,22);2*1H
InChIKeyAHMKBMVTCFYFSO-UHFFFAOYSA-N
MW388.26 g/mol
LogP3.70
Rot. Bonds4

About 2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride

2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride (PubChem CID 119828236) has the molecular formula C15H22Cl2F3N3O and a molecular weight of 388.26 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
PubChem CID119828236
Molecular FormulaC15H22Cl2F3N3O
Molecular Weight388.26 g/mol
Exact Mass387.11
IUPAC Name2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
SMILESCNCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1.Cl.Cl
InChIInChI=1S/C15H20F3N3O.2ClH/c1-19-10-14(22)20-12-9-11(15(16,17)18)5-6-13(12)21-7-3-2-4-8-21;;/h5-6,9,19H,2-4,7-8,10H2,1H3,(H,20,22);2*1H
InChIKeyAHMKBMVTCFYFSO-UHFFFAOYSA-N
XLogP3.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
methyl 4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butanoate
CID 108808751
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1396653
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278
N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 24615057
trans-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230652
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3987628
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
2-(3-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55380507
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride (CID 119828236) is 2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride is CNCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1.Cl.Cl.
What is the InChIKey of 2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The InChIKey is AHMKBMVTCFYFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O.2ClH/c1-19-10-14(22)20-12-9-11(15(16,17)18)5-6-13(12)21-7-3-2-4-8-21;;/h5-6,9,19H,2-4,7-8,10H2,1H3,(H,20,22);2*1H.
What are the key properties of 2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride has a molecular weight of 388.26 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119828236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).