1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone

C23H23F3N4O — CID 155234309

IUPAC1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone
SMILESNc1cccc(C(F)(F)F)c1NC1CCN(C(=O)Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)18-4-1-5-19(27)22(18)29-17-8-11-30(12-9-17)21(31)14-15-6-7-20-16(13-15)3-2-10-28-20/h1-7,10,13,17,29H,8-9,11-12,14,27H2
InChIKeyQIDIXOZFSSJJAU-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.48
Rot. Bonds4

About 1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone

1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone (PubChem CID 155234309) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is 1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone.

Molecular Properties

Compound Name1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone
PubChem CID155234309
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone
SMILESNc1cccc(C(F)(F)F)c1NC1CCN(C(=O)Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)18-4-1-5-19(27)22(18)29-17-8-11-30(12-9-17)21(31)14-15-6-7-20-16(13-15)3-2-10-28-20/h1-7,10,13,17,29H,8-9,11-12,14,27H2
InChIKeyQIDIXOZFSSJJAU-UHFFFAOYSA-N
XLogP4.48
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone
CID 155672294
1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 154867921
2-[2-[[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]amino]phenyl]acetamide
CID 175872549
N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide
CID 155248372
1-[4-(2-nitroanilino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 155234146
1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone
CID 167832627
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-quinolin-6-ylacetamide
CID 52913841
1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 155233947
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 4999345
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561767

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone?
The IUPAC name of 1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone (CID 155234309) is 1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone.
What is the SMILES notation for 1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone?
The canonical SMILES for 1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone is Nc1cccc(C(F)(F)F)c1NC1CCN(C(=O)Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of 1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone?
The InChIKey is QIDIXOZFSSJJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c24-23(25,26)18-4-1-5-19(27)22(18)29-17-8-11-30(12-9-17)21(31)14-15-6-7-20-16(13-15)3-2-10-28-20/h1-7,10,13,17,29H,8-9,11-12,14,27H2.
What are the key properties of 1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone?
1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone has a molecular weight of 428.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone is sourced from PubChem (CID 155234309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).