6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione

C16H19N3O3 — CID 34467098

IUPAC6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1
InChIInChI=1S/C16H19N3O3/c1-2-10-4-3-7-19(9-10)16(22)11-5-6-12-13(8-11)18-15(21)14(20)17-12/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,20)(H,18,21)/t10-/m0/s1
InChIKeyJTJTXLRGWGJVDS-JTQLQIEISA-N
MW301.35 g/mol
LogP1.48
Rot. Bonds2

About 6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione

6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 34467098) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID34467098
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1
InChIInChI=1S/C16H19N3O3/c1-2-10-4-3-7-19(9-10)16(22)11-5-6-12-13(8-11)18-15(21)14(20)17-12/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,20)(H,18,21)/t10-/m0/s1
InChIKeyJTJTXLRGWGJVDS-JTQLQIEISA-N
XLogP1.48
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99974461
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
6-[3-(2-methylphenyl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70723396
6-[3-(3,3-dimethylbutyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 154847156
2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
CID 103998035
6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 56871206
6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99947738
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70771275
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione (CID 34467098) is 6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione is CC[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1.
What is the InChIKey of 6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is JTJTXLRGWGJVDS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-10-4-3-7-19(9-10)16(22)11-5-6-12-13(8-11)18-15(21)14(20)17-12/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,20)(H,18,21)/t10-/m0/s1.
What are the key properties of 6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 301.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 34467098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).