N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide

C14H17F3N4O3 — CID 44999026

IUPACN'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H17F3N4O3/c1-20-6-8-21(9-7-20)19-13(23)12(22)18-10-2-4-11(5-3-10)24-14(15,16)17/h2-5H,6-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyIEUZJBOKLZNOHR-UHFFFAOYSA-N
MW346.31 g/mol
LogP0.80
Rot. Bonds3

About N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide

N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide (PubChem CID 44999026) has the molecular formula C14H17F3N4O3 and a molecular weight of 346.31 g/mol. Its IUPAC name is N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
PubChem CID44999026
Molecular FormulaC14H17F3N4O3
Molecular Weight346.31 g/mol
Exact Mass346.13
IUPAC NameN'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H17F3N4O3/c1-20-6-8-21(9-7-20)19-13(23)12(22)18-10-2-4-11(5-3-10)24-14(15,16)17/h2-5H,6-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyIEUZJBOKLZNOHR-UHFFFAOYSA-N
XLogP0.80
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
CID 108511717
N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44997030
N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508857
1-(4-pentylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 70829829
N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108502545
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
CID 83008958
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
3-methyl-2,2-dioxo-N-[4-(trifluoromethoxy)phenyl]-2λ6-thia-3-azabicyclo[4.1.0]heptane-1-carboxamide
CID 133230289
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide?
The IUPAC name of N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide (CID 44999026) is N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide.
What is the SMILES notation for N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide?
The canonical SMILES for N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide is CN1CCN(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide?
The InChIKey is IEUZJBOKLZNOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O3/c1-20-6-8-21(9-7-20)19-13(23)12(22)18-10-2-4-11(5-3-10)24-14(15,16)17/h2-5H,6-9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide?
N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide has a molecular weight of 346.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide is sourced from PubChem (CID 44999026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).