N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride

C15H22Cl2F3N3O — CID 171303739

IUPACN-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride
SMILESCC(=O)Nc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C15H20F3N3O.2ClH/c1-11(22)20-13-4-2-12(3-5-13)14(10-15(16,17)18)21-8-6-19-7-9-21;;/h2-5,14,19H,6-10H2,1H3,(H,20,22);2*1H/t14-;;/m1../s1
InChIKeyNMZNWKCXMTWBSI-FMOMHUKBSA-N
MW388.26 g/mol
LogP3.39
Rot. Bonds4

About N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride

N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride (PubChem CID 171303739) has the molecular formula C15H22Cl2F3N3O and a molecular weight of 388.26 g/mol. Its IUPAC name is N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride
PubChem CID171303739
Molecular FormulaC15H22Cl2F3N3O
Molecular Weight388.26 g/mol
Exact Mass387.11
IUPAC NameN-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride
SMILESCC(=O)Nc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C15H20F3N3O.2ClH/c1-11(22)20-13-4-2-12(3-5-13)14(10-15(16,17)18)21-8-6-19-7-9-21;;/h2-5,14,19H,6-10H2,1H3,(H,20,22);2*1H/t14-;;/m1../s1
InChIKeyNMZNWKCXMTWBSI-FMOMHUKBSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
CID 171183073
N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide
CID 171306857
1-[(1R)-3,3,3-trifluoro-1-(4-iodophenyl)propyl]piperazine;dihydrochloride
CID 171303530
1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303944
1-[(1S)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163089
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
1-[(1S)-3,3,3-trifluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165894
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
N,N-diethyl-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]aniline
CID 171302840
1-[(1S)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propyl]piperazine
CID 171162703
1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
CID 171170586
N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide;dihydrochloride
CID 171291189

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride?
The IUPAC name of N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride (CID 171303739) is N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride.
What is the SMILES notation for N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride?
The canonical SMILES for N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride is CC(=O)Nc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride?
The InChIKey is NMZNWKCXMTWBSI-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H20F3N3O.2ClH/c1-11(22)20-13-4-2-12(3-5-13)14(10-15(16,17)18)21-8-6-19-7-9-21;;/h2-5,14,19H,6-10H2,1H3,(H,20,22);2*1H/t14-;;/m1../s1.
What are the key properties of N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride?
N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride has a molecular weight of 388.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 171303739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).