(3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine

C25H29F3N4O3 — CID 178007758

IUPAC(3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC.Nc1cncc(C(F)(F)F)n1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(O)C(O)C1
InChIInChI=1S/C18H19NO3.C5H4F3N3.C2H6/c20-16-10-11-19(12-17(16)21)18(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h1-9,16-17,20-21H,10-12H2;1-2H,(H2,9,11);1-2H3
InChIKeyLYWQZOFIJMEIOK-UHFFFAOYSA-N
MW490.53 g/mol
LogP4.03
Rot. Bonds2

About (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine

(3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 178007758) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name(3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID178007758
Molecular FormulaC25H29F3N4O3
Molecular Weight490.53 g/mol
Exact Mass490.22
IUPAC Name(3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC.Nc1cncc(C(F)(F)F)n1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(O)C(O)C1
InChIInChI=1S/C18H19NO3.C5H4F3N3.C2H6/c20-16-10-11-19(12-17(16)21)18(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h1-9,16-17,20-21H,10-12H2;1-2H,(H2,9,11);1-2H3
InChIKeyLYWQZOFIJMEIOK-UHFFFAOYSA-N
XLogP4.03
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine
CID 178007692
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone
CID 171558301
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
(6-aminopyrazin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 114036117
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]-[4-(1-hydroxyethenyl)phenyl]methanone
CID 171558492

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine (CID 178007758) is (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine is CC.Nc1cncc(C(F)(F)F)n1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is LYWQZOFIJMEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3.C5H4F3N3.C2H6/c20-16-10-11-19(12-17(16)21)18(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h1-9,16-17,20-21H,10-12H2;1-2H,(H2,9,11);1-2H3.
What are the key properties of (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine?
(3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 490.53 g/mol, XLogP of 4.03, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 178007758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).