N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide

C19H24N4O4 — CID 70814798

IUPACN-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1nc2ccccc2[nH]c1=O)C(=O)N1CCC(O)CC1
InChIInChI=1S/C19H24N4O4/c1-11(2)15(19(27)23-9-7-12(24)8-10-23)22-18(26)16-17(25)21-14-6-4-3-5-13(14)20-16/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,21,25)(H,22,26)/t15-/m0/s1
InChIKeyVIWGQJKCKDGLCI-HNNXBMFYSA-N
MW372.43 g/mol
LogP0.66
Rot. Bonds4

About N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide

N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 70814798) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID70814798
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1nc2ccccc2[nH]c1=O)C(=O)N1CCC(O)CC1
InChIInChI=1S/C19H24N4O4/c1-11(2)15(19(27)23-9-7-12(24)8-10-23)22-18(26)16-17(25)21-14-6-4-3-5-13(14)20-16/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,21,25)(H,22,26)/t15-/m0/s1
InChIKeyVIWGQJKCKDGLCI-HNNXBMFYSA-N
XLogP0.66
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 58170382
N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
CID 45370047
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 95193985
N-[(2S)-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(hydroxymethyl)quinoxaline-2-carboxamide
CID 91551710
N-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 110880549
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 91762120
1-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2,3-dichlorophenyl)urea
CID 42699282
[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67529442
N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide
CID 91791993
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23939275
N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 31187589

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide (CID 70814798) is N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide is CC(C)[C@H](NC(=O)c1nc2ccccc2[nH]c1=O)C(=O)N1CCC(O)CC1.
What is the InChIKey of N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is VIWGQJKCKDGLCI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-11(2)15(19(27)23-9-7-12(24)8-10-23)22-18(26)16-17(25)21-14-6-4-3-5-13(14)20-16/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,21,25)(H,22,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide?
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 70814798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).