N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide

C22H25F3N4O4 — CID 42268855

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H25F3N4O4/c1-32-19-5-3-2-4-18(19)29-14-12-28(13-15-29)11-10-26-20(30)21(31)27-16-6-8-17(9-7-16)33-22(23,24)25/h2-9H,10-15H2,1H3,(H,26,30)(H,27,31)
InChIKeyDEDURENGHKXOQA-UHFFFAOYSA-N
MW466.46 g/mol
LogP2.47
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide (PubChem CID 42268855) has the molecular formula C22H25F3N4O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
PubChem CID42268855
Molecular FormulaC22H25F3N4O4
Molecular Weight466.46 g/mol
Exact Mass466.18
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H25F3N4O4/c1-32-19-5-3-2-4-18(19)29-14-12-28(13-15-29)11-10-26-20(30)21(31)27-16-6-8-17(9-7-16)33-22(23,24)25/h2-9H,10-15H2,1H3,(H,26,30)(H,27,31)
InChIKeyDEDURENGHKXOQA-UHFFFAOYSA-N
XLogP2.47
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268919
N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268937
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 42268814
N'-(2-ethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268863
N'-(2-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268915
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268804
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389638
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 44532094
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide (CID 42268855) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide is COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The InChIKey is DEDURENGHKXOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O4/c1-32-19-5-3-2-4-18(19)29-14-12-28(13-15-29)11-10-26-20(30)21(31)27-16-6-8-17(9-7-16)33-22(23,24)25/h2-9H,10-15H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide has a molecular weight of 466.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide is sourced from PubChem (CID 42268855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).