[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone

C18H20N6O2 — CID 46997721

IUPAC[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C18H20N6O2/c25-12-15-11-24(22-21-15)10-13-3-7-23(8-4-13)18(26)14-1-2-16-17(9-14)20-6-5-19-16/h1-2,5-6,9,11,13,25H,3-4,7-8,10,12H2
InChIKeyXHLZHBMLEJFRFZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.27
Rot. Bonds4

About [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone

[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 46997721) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID46997721
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C18H20N6O2/c25-12-15-11-24(22-21-15)10-13-3-7-23(8-4-13)18(26)14-1-2-16-17(9-14)20-6-5-19-16/h1-2,5-6,9,11,13,25H,3-4,7-8,10,12H2
InChIKeyXHLZHBMLEJFRFZ-UHFFFAOYSA-N
XLogP1.27
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone with MolForge

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Related Compounds

[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 46986620
1-[(3S)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 129495741
1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 31193716
3-[4-[[4-[(2S)-2-hydroxypropyl]triazol-1-yl]methyl]piperidine-1-carbonyl]benzonitrile
CID 30936232
3-[4-[[4-(2-hydroxypropyl)triazol-1-yl]methyl]piperidine-1-carbonyl]benzonitrile
CID 45195148
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
1,3-benzodioxol-5-yl-[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154891089
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 157013388
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone (CID 46997721) is [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone is O=C(c1ccc2nccnc2c1)N1CCC(Cn2cc(CO)nn2)CC1.
What is the InChIKey of [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is XHLZHBMLEJFRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-12-15-11-24(22-21-15)10-13-3-7-23(8-4-13)18(26)14-1-2-16-17(9-14)20-6-5-19-16/h1-2,5-6,9,11,13,25H,3-4,7-8,10,12H2.
What are the key properties of [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone?
[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 352.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 46997721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).