2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

C14H18F3N3O — CID 18082732

IUPAC2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3N3O/c1-10(13(18)21)19-5-7-20(8-6-19)12-4-2-3-11(9-12)14(15,16)17/h2-4,9-10H,5-8H2,1H3,(H2,18,21)
InChIKeyVMOJQNUTYYFWLA-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.70
Rot. Bonds3

About 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide (PubChem CID 18082732) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
PubChem CID18082732
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3N3O/c1-10(13(18)21)19-5-7-20(8-6-19)12-4-2-3-11(9-12)14(15,16)17/h2-4,9-10H,5-8H2,1H3,(H2,18,21)
InChIKeyVMOJQNUTYYFWLA-UHFFFAOYSA-N
XLogP1.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 25384906
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
(2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 26183274
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18171113
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
N-(cyclopropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18124258
N-(2,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 50875751
(2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459927
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 173434640
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
(2S)-N-(cyclopentylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459953
N-(4-chloro-2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55430380

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide (CID 18082732) is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
The InChIKey is VMOJQNUTYYFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-10(13(18)21)19-5-7-20(8-6-19)12-4-2-3-11(9-12)14(15,16)17/h2-4,9-10H,5-8H2,1H3,(H2,18,21).
What are the key properties of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide has a molecular weight of 301.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 18082732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).