1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine

C21H27F3N6O4 — CID 171557066

IUPAC1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(O)C1CCN(c2ccc(N3CCC(O)C(O)C3)nc2)CC1
InChIInChI=1S/C16H23N3O4.C5H4F3N3/c20-13-5-8-19(10-14(13)21)15-2-1-12(9-17-15)18-6-3-11(4-7-18)16(22)23;6-5(7,8)3-1-10-2-4(9)11-3/h1-2,9,11,13-14,20-21H,3-8,10H2,(H,22,23);1-2H,(H2,9,11)
InChIKeyAQMDGCVQPHSMET-UHFFFAOYSA-N
MW484.48 g/mol
LogP1.39
Rot. Bonds3

About 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine

1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557066) has the molecular formula C21H27F3N6O4 and a molecular weight of 484.48 g/mol. Its IUPAC name is 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557066
Molecular FormulaC21H27F3N6O4
Molecular Weight484.48 g/mol
Exact Mass484.20
IUPAC Name1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(O)C1CCN(c2ccc(N3CCC(O)C(O)C3)nc2)CC1
InChIInChI=1S/C16H23N3O4.C5H4F3N3/c20-13-5-8-19(10-14(13)21)15-2-1-12(9-17-15)18-6-3-11(4-7-18)16(22)23;6-5(7,8)3-1-10-2-4(9)11-3/h1-2,9,11,13-14,20-21H,3-8,10H2,(H,22,23);1-2H,(H2,9,11)
InChIKeyAQMDGCVQPHSMET-UHFFFAOYSA-N
XLogP1.39
TPSA148.93 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;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

4-Pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746105
3-Piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 87769489
3-[[6-(3,3-Difluoro-4-methoxycarbonylpiperidin-1-yl)-3-pyridinyl]amino]propanoic acid
CID 168881886
1-[1-[5-(2,4-Dioxo-1,3-diazinan-1-yl)-2-pyridinyl]-3,3-difluoropiperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882156
1-[3-Pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168974951
1-[3-[4-(2-Methoxyethylamino)phenyl]-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168975186
N-cyclopentyl-1-[4-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]phenyl]piperidine-4-carboxamide
CID 171556568
N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide
CID 171556711
1-[6-[(3aS,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxylic acid
CID 171556712
1-[4-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]phenyl]-N-methylpiperidine-4-carboxamide
CID 171556980
methyl 1-[6-[(3aS,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxylate
CID 171557260
(3S,4R,5S)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557564

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine (CID 171557066) is 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(O)C1CCN(c2ccc(N3CCC(O)C(O)C3)nc2)CC1.
What is the InChIKey of 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is AQMDGCVQPHSMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4.C5H4F3N3/c20-13-5-8-19(10-14(13)21)15-2-1-12(9-17-15)18-6-3-11(4-7-18)16(22)23;6-5(7,8)3-1-10-2-4(9)11-3/h1-2,9,11,13-14,20-21H,3-8,10H2,(H,22,23);1-2H,(H2,9,11).
What are the key properties of 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine?
1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 484.48 g/mol, XLogP of 1.39, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dihydroxypiperidin-1-yl)-3-pyridinyl]piperidine-4-carboxylic acid;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).