(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

C16H22F3N3O2 — CID 92763017

IUPAC(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCCN1CCN([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H22F3N3O2/c1-3-21-8-10-22(11-9-21)12(2)15(23)20-13-4-6-14(7-5-13)24-16(17,18)19/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyWCCDFBSRIZPPOB-GFCCVEGCSA-N
MW345.37 g/mol
LogP2.55
Rot. Bonds5

About (2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 92763017) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID92763017
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCCN1CCN([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H22F3N3O2/c1-3-21-8-10-22(11-9-21)12(2)15(23)20-13-4-6-14(7-5-13)24-16(17,18)19/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyWCCDFBSRIZPPOB-GFCCVEGCSA-N
XLogP2.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9390700
N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406
(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41445196
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119907916
N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide
CID 42927395
2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 46527465
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 111332468
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55829823
N-(2,4-dimethylphenyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]propanamide
CID 46631384
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]propanamide
CID 30966237

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 92763017) is (2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is CCN1CCN([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of (2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is WCCDFBSRIZPPOB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-3-21-8-10-22(11-9-21)12(2)15(23)20-13-4-6-14(7-5-13)24-16(17,18)19/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 345.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 92763017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).