N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide

C20H20F3N3O3 — CID 55629643

IUPACN-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C20H20F3N3O3/c1-29-15-6-4-5-14(13-15)24-19(28)26-11-9-25(10-12-26)18(27)16-7-2-3-8-17(16)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,28)
InChIKeyAYAPWSIZISPSAJ-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.70
Rot. Bonds3

About N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide

N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide (PubChem CID 55629643) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide
PubChem CID55629643
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC NameN-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C20H20F3N3O3/c1-29-15-6-4-5-14(13-15)24-19(28)26-11-9-25(10-12-26)18(27)16-7-2-3-8-17(16)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,28)
InChIKeyAYAPWSIZISPSAJ-UHFFFAOYSA-N
XLogP3.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113586
[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32568987
N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55747739
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 37278947
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476
1-(3-methoxyphenyl)-3-[2-(piperidine-1-carbonyl)phenyl]urea
CID 99129473
(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 95784287

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide (CID 55629643) is N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide?
The InChIKey is AYAPWSIZISPSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-29-15-6-4-5-14(13-15)24-19(28)26-11-9-25(10-12-26)18(27)16-7-2-3-8-17(16)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,28).
What are the key properties of N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 55629643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).