2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide

C17H22F3N5O2 — CID 90770021

IUPAC2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN1CCN(C(=O)c2ccc(/N=C(\N)C(=O)NCC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H22F3N5O2/c1-2-24-7-9-25(10-8-24)16(27)12-3-5-13(6-4-12)23-14(21)15(26)22-11-17(18,19)20/h3-6H,2,7-11H2,1H3,(H2,21,23)(H,22,26)
InChIKeyHKCZJLZXCUDYBO-UHFFFAOYSA-N
MW385.39 g/mol
LogP1.13
Rot. Bonds4

About 2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide

2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 90770021) has the molecular formula C17H22F3N5O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID90770021
Molecular FormulaC17H22F3N5O2
Molecular Weight385.39 g/mol
Exact Mass385.17
IUPAC Name2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN1CCN(C(=O)c2ccc(/N=C(\N)C(=O)NCC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H22F3N5O2/c1-2-24-7-9-25(10-8-24)16(27)12-3-5-13(6-4-12)23-14(21)15(26)22-11-17(18,19)20/h3-6H,2,7-11H2,1H3,(H2,21,23)(H,22,26)
InChIKeyHKCZJLZXCUDYBO-UHFFFAOYSA-N
XLogP1.13
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333210
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 67385652
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046325
(4-amino-3-nitrophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60635046
(4-ethylpiperazin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 110693173
(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63209664
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364113

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide (CID 90770021) is 2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide is CCN1CCN(C(=O)c2ccc(/N=C(\N)C(=O)NCC(F)(F)F)cc2)CC1.
What is the InChIKey of 2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HKCZJLZXCUDYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O2/c1-2-24-7-9-25(10-8-24)16(27)12-3-5-13(6-4-12)23-14(21)15(26)22-11-17(18,19)20/h3-6H,2,7-11H2,1H3,(H2,21,23)(H,22,26).
What are the key properties of 2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide?
2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 385.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]imino-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 90770021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).