quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C16H16N6O — CID 129487916

IUPACquinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2nccnc12)N1CCCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C16H16N6O/c23-16(11-4-3-5-12-14(11)18-8-7-17-12)22-9-2-1-6-13(22)15-19-10-20-21-15/h3-5,7-8,10,13H,1-2,6,9H2,(H,19,20,21)/t13-/m0/s1
InChIKeySFSWOGUZZVZNPE-ZDUSSCGKSA-N
MW308.34 g/mol
LogP2.12
Rot. Bonds2

About quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 129487916) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namequinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID129487916
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Namequinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2nccnc12)N1CCCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C16H16N6O/c23-16(11-4-3-5-12-14(11)18-8-7-17-12)22-9-2-1-6-13(22)15-19-10-20-21-15/h3-5,7-8,10,13H,1-2,6,9H2,(H,19,20,21)/t13-/m0/s1
InChIKeySFSWOGUZZVZNPE-ZDUSSCGKSA-N
XLogP2.12
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129398214
1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 84596747
1H-indol-4-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 75446127
(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
CID 104614152
(3-fluoro-4-pyridinyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993661
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578
[3-(hydroxymethyl)phenyl]-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129351286
3-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]benzonitrile
CID 129397847
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487845
(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993946

Frequently Asked Questions

What is the IUPAC name of quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 129487916) is quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(c1cccc2nccnc12)N1CCCC[C@H]1c1ncn[nH]1.
What is the InChIKey of quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is SFSWOGUZZVZNPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(11-4-3-5-12-14(11)18-8-7-17-12)22-9-2-1-6-13(22)15-19-10-20-21-15/h3-5,7-8,10,13H,1-2,6,9H2,(H,19,20,21)/t13-/m0/s1.
What are the key properties of quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129487916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).