6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione

C16H19N3O5 — CID 70771275

IUPAC6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC[C@@]1(O)CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H]1O
InChIInChI=1S/C16H19N3O5/c1-2-16(24)5-6-19(8-12(16)20)15(23)9-3-4-10-11(7-9)18-14(22)13(21)17-10/h3-4,7,12,20,24H,2,5-6,8H2,1H3,(H,17,21)(H,18,22)/t12-,16-/m1/s1
InChIKeyCQZBUNBOKDGCKN-MLGOLLRUSA-N
MW333.34 g/mol
LogP-0.44
Rot. Bonds2

About 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione

6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 70771275) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID70771275
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC[C@@]1(O)CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H]1O
InChIInChI=1S/C16H19N3O5/c1-2-16(24)5-6-19(8-12(16)20)15(23)9-3-4-10-11(7-9)18-14(22)13(21)17-10/h3-4,7,12,20,24H,2,5-6,8H2,1H3,(H,17,21)(H,18,22)/t12-,16-/m1/s1
InChIKeyCQZBUNBOKDGCKN-MLGOLLRUSA-N
XLogP-0.44
TPSA126.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione with MolForge

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Related Compounds

[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(furan-3-yl)methanone
CID 70751006
6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 34467098
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-[3-(3-methoxyphenyl)phenyl]methanone
CID 70731735
6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99974461
6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
CID 23474515
6-[3-(3,3-dimethylbutyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 154847156
6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 154885799
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 70772159
6-[3-(2-methylphenyl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70723396
2H-benzotriazol-5-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72925092
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70750730
6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 56871206

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione (CID 70771275) is 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione is CC[C@@]1(O)CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H]1O.
What is the InChIKey of 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is CQZBUNBOKDGCKN-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-2-16(24)5-6-19(8-12(16)20)15(23)9-3-4-10-11(7-9)18-14(22)13(21)17-10/h3-4,7,12,20,24H,2,5-6,8H2,1H3,(H,17,21)(H,18,22)/t12-,16-/m1/s1.
What are the key properties of 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 333.34 g/mol, XLogP of -0.44, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 70771275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).