(4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C21H26N4O4 — CID 23935959

IUPAC(4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@@H]1COC(=O)N1C1CCN(C(=O)c2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C21H26N4O4/c1-3-13(2)17-12-29-21(28)25(17)14-8-10-24(11-9-14)20(27)18-19(26)23-16-7-5-4-6-15(16)22-18/h4-7,13-14,17H,3,8-12H2,1-2H3,(H,23,26)/t13-,17-/m0/s1
InChIKeyOTVSWFJVAPJUGV-GUYCJALGSA-N
MW398.46 g/mol
LogP2.39
Rot. Bonds4

About (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

(4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 23935959) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID23935959
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name(4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@@H]1COC(=O)N1C1CCN(C(=O)c2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C21H26N4O4/c1-3-13(2)17-12-29-21(28)25(17)14-8-10-24(11-9-14)20(27)18-19(26)23-16-7-5-4-6-15(16)22-18/h4-7,13-14,17H,3,8-12H2,1-2H3,(H,23,26)/t13-,17-/m0/s1
InChIKeyOTVSWFJVAPJUGV-GUYCJALGSA-N
XLogP2.39
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23939275
4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4985195
4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3671179
N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide
CID 91791993
3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 3464347
ethyl (4S)-3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74226224
3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one
CID 5018476
4-[(3S)-1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-3-yl]benzoic acid
CID 97199385
3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
CID 57329512
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 70814798
3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one
CID 56894607
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 55536470

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 23935959) is (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CC[C@H](C)[C@@H]1COC(=O)N1C1CCN(C(=O)c2nc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is OTVSWFJVAPJUGV-GUYCJALGSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-3-13(2)17-12-29-21(28)25(17)14-8-10-24(11-9-14)20(27)18-19(26)23-16-7-5-4-6-15(16)22-18/h4-7,13-14,17H,3,8-12H2,1-2H3,(H,23,26)/t13-,17-/m0/s1.
What are the key properties of (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 398.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23935959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).