N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C15H19F3N4O2 — CID 108501365

IUPACN-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCN1CCNCC1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)11-2-1-3-12(10-11)21-14(24)13(23)20-6-9-22-7-4-19-5-8-22/h1-3,10,19H,4-9H2,(H,20,23)(H,21,24)
InChIKeyRSXXAHBCGMNGSX-UHFFFAOYSA-N
MW344.34 g/mol
LogP0.67
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108501365) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID108501365
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC NameN-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCN1CCNCC1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)11-2-1-3-12(10-11)21-14(24)13(23)20-6-9-22-7-4-19-5-8-22/h1-3,10,19H,4-9H2,(H,20,23)(H,21,24)
InChIKeyRSXXAHBCGMNGSX-UHFFFAOYSA-N
XLogP0.67
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride
CID 119445325
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 16886734
N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108517749
1-N-(2-morpholin-4-ylethyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108973686
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 4583432
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119448321

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 108501365) is N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is O=C(NCCN1CCNCC1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is RSXXAHBCGMNGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)11-2-1-3-12(10-11)21-14(24)13(23)20-6-9-22-7-4-19-5-8-22/h1-3,10,19H,4-9H2,(H,20,23)(H,21,24).
What are the key properties of N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 344.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108501365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).