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

C16H22F3N3O2 — CID 111912608

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCN(CCO)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)13-2-1-3-14(12-13)20-15(24)4-5-21-6-8-22(9-7-21)10-11-23/h1-3,12,23H,4-11H2,(H,20,24)
InChIKeyXKUKEWDOKKWLHI-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.64
Rot. Bonds6

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

3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 111912608) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID111912608
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCN(CCO)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)13-2-1-3-14(12-13)20-15(24)4-5-21-6-8-22(9-7-21)10-11-23/h1-3,12,23H,4-11H2,(H,20,24)
InChIKeyXKUKEWDOKKWLHI-UHFFFAOYSA-N
XLogP1.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 20619607
3-(3-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912607
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 120774509
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 15993096
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
1-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19482868
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110343225

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 111912608) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCN1CCN(CCO)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XKUKEWDOKKWLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c17-16(18,19)13-2-1-3-14(12-13)20-15(24)4-5-21-6-8-22(9-7-21)10-11-23/h1-3,12,23H,4-11H2,(H,20,24).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 345.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 111912608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).