6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione

C16H16N6O3 — CID 99947738

IUPAC6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCC[C@@H](c2ncn[nH]2)C1
InChIInChI=1S/C16H16N6O3/c23-14-15(24)20-12-6-9(3-4-11(12)19-14)16(25)22-5-1-2-10(7-22)13-17-8-18-21-13/h3-4,6,8,10H,1-2,5,7H2,(H,19,23)(H,20,24)(H,17,18,21)/t10-/m1/s1
InChIKeyBPLXUDGNKRRWDK-SNVBAGLBSA-N
MW340.34 g/mol
LogP0.35
Rot. Bonds2

About 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione

6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 99947738) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID99947738
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCC[C@@H](c2ncn[nH]2)C1
InChIInChI=1S/C16H16N6O3/c23-14-15(24)20-12-6-9(3-4-11(12)19-14)16(25)22-5-1-2-10(7-22)13-17-8-18-21-13/h3-4,6,8,10H,1-2,5,7H2,(H,19,23)(H,20,24)(H,17,18,21)/t10-/m1/s1
InChIKeyBPLXUDGNKRRWDK-SNVBAGLBSA-N
XLogP0.35
TPSA127.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione with MolForge

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Related Compounds

6-[3-(2-methylphenyl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70723396
6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 34467098
6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 166202000
[1-(4-methylbenzoyl)piperidin-4-yl]-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131918079
3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 128894649
(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95788981
6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
CID 23474515
[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110104147
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99974461
5-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95347958
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione (CID 99947738) is 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione is O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCC[C@@H](c2ncn[nH]2)C1.
What is the InChIKey of 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is BPLXUDGNKRRWDK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N6O3/c23-14-15(24)20-12-6-9(3-4-11(12)19-14)16(25)22-5-1-2-10(7-22)13-17-8-18-21-13/h3-4,6,8,10H,1-2,5,7H2,(H,19,23)(H,20,24)(H,17,18,21)/t10-/m1/s1.
What are the key properties of 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 340.34 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 99947738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).