2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide

C17H24F3N3O — CID 174941765

IUPAC2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide
SMILESCCC(c1ccc(C(C)NC(=O)C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C17H24F3N3O/c1-3-15(23-10-8-21-9-11-23)14-6-4-13(5-7-14)12(2)22-16(24)17(18,19)20/h4-7,12,15,21H,3,8-11H2,1-2H3,(H,22,24)
InChIKeySRVWJQURWZFKIN-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.78
Rot. Bonds5

About 2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide

2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide (PubChem CID 174941765) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide
PubChem CID174941765
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide
SMILESCCC(c1ccc(C(C)NC(=O)C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C17H24F3N3O/c1-3-15(23-10-8-21-9-11-23)14-6-4-13(5-7-14)12(2)22-16(24)17(18,19)20/h4-7,12,15,21H,3,8-11H2,1-2H3,(H,22,24)
InChIKeySRVWJQURWZFKIN-UHFFFAOYSA-N
XLogP2.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide
CID 21035206
N-[(1S)-1-[4-[1-(3-tert-butyl-4-deuteriopiperazin-1-yl)-2-cyclopropylethyl]phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 175825092
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279194
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279645
tert-butyl 4-[3-methoxy-1-[4-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]propyl]piperazine-1-carboxylate
CID 135142310
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 95480577
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81352101

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide (CID 174941765) is 2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide is CCC(c1ccc(C(C)NC(=O)C(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide?
The InChIKey is SRVWJQURWZFKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-3-15(23-10-8-21-9-11-23)14-6-4-13(5-7-14)12(2)22-16(24)17(18,19)20/h4-7,12,15,21H,3,8-11H2,1-2H3,(H,22,24).
What are the key properties of 2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide?
2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 174941765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).