N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide

C17H17F3N4O2 — CID 91843932

IUPACN-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H]1CCN(c2cnccn2)C[C@H]1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)12-3-1-2-11(8-12)16(26)23-13-4-7-24(10-14(13)25)15-9-21-5-6-22-15/h1-3,5-6,8-9,13-14,25H,4,7,10H2,(H,23,26)/t13-,14-/m1/s1
InChIKeyIODTXMNWYFCYRP-ZIAGYGMSSA-N
MW366.34 g/mol
LogP1.87
Rot. Bonds3

About N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide

N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide (PubChem CID 91843932) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide
PubChem CID91843932
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H]1CCN(c2cnccn2)C[C@H]1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)12-3-1-2-11(8-12)16(26)23-13-4-7-24(10-14(13)25)15-9-21-5-6-22-15/h1-3,5-6,8-9,13-14,25H,4,7,10H2,(H,23,26)/t13-,14-/m1/s1
InChIKeyIODTXMNWYFCYRP-ZIAGYGMSSA-N
XLogP1.87
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide
CID 91841370
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71786624
N-[(1R,4R,6S)-2-[3-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052678
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126433211
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 91838196
N-[(3S,4S)-1-[5-(dimethylamino)-5-oxo-4,4-diphenylpentan-2-yl]-3-hydroxypiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 18643567
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
1-(1-pyridin-2-ylpyrrolidin-3-yl)-3-[[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]amino]urea
CID 166376481
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide (CID 91843932) is N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide is O=C(N[C@@H]1CCN(c2cnccn2)C[C@H]1O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is IODTXMNWYFCYRP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)12-3-1-2-11(8-12)16(26)23-13-4-7-24(10-14(13)25)15-9-21-5-6-22-15/h1-3,5-6,8-9,13-14,25H,4,7,10H2,(H,23,26)/t13-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide?
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 366.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91843932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).