2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C17H23F3N4O2 — CID 70728786

IUPAC2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)14-4-3-13(15(21)26)16(22-14)23-8-5-11(6-9-23)24-7-1-2-12(25)10-24/h3-4,11-12,25H,1-2,5-10H2,(H2,21,26)
InChIKeyOETAKJWWICXEHU-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 70728786) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID70728786
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)14-4-3-13(15(21)26)16(22-14)23-8-5-11(6-9-23)24-7-1-2-12(25)10-24/h3-4,11-12,25H,1-2,5-10H2,(H2,21,26)
InChIKeyOETAKJWWICXEHU-UHFFFAOYSA-N
XLogP1.62
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-((3R*,4R*)-3-hydroxy-4-{methyl[2-(2-pyridinyl)ethyl]amino}-1-piperidinyl)isonicotinamide
CID 56919065
(6-Methyl-2-morpholin-4-yl-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 126469366
6-methyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 126469756
N-cyclohexyl-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 126475603
2-[(6S)-6-hydroxy-1,4-oxazepan-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 96376015
2-[[(3S)-3,4-dihydroxybutyl]amino]-6-methylpyridine-3-carboxamide
CID 125527010
2-[(3S)-3-ethyl-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 129610348
[(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 164639307
[3-Hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-ylpyridin-2-yl)methanone
CID 54591744
2-Piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 59522534
2-[(3-methoxypropyl)amino]-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholin-4-ylcarbonyl)piperidin-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 59625564
2-Methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 67289608

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 70728786) is 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1N1CCC(N2CCCC(O)C2)CC1.
What is the InChIKey of 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OETAKJWWICXEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c18-17(19,20)14-4-3-13(15(21)26)16(22-14)23-8-5-11(6-9-23)24-7-1-2-12(25)10-24/h3-4,11-12,25H,1-2,5-10H2,(H2,21,26).
What are the key properties of 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 70728786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).