N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide

C18H22N4O2 — CID 95296071

IUPACN-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C18H22N4O2/c1-12-7-5-6-10-22(12)18(24)13(2)20-17(23)16-11-19-14-8-3-4-9-15(14)21-16/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,20,23)/t12-,13+/m0/s1
InChIKeyRJQLYQJNNQSFKQ-QWHCGFSZSA-N
MW326.40 g/mol
LogP2.15
Rot. Bonds3

About N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide

N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide (PubChem CID 95296071) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide
PubChem CID95296071
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C18H22N4O2/c1-12-7-5-6-10-22(12)18(24)13(2)20-17(23)16-11-19-14-8-3-4-9-15(14)21-16/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,20,23)/t12-,13+/m0/s1
InChIKeyRJQLYQJNNQSFKQ-QWHCGFSZSA-N
XLogP2.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide with MolForge

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Related Compounds

6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 97092299
6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 71906921
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 55718070
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide
CID 95612434
N-[1-(oxolan-2-yl)ethyl]quinoxaline-2-carboxamide
CID 47167763
1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 71903618
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133372121
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 97349074
(2S)-2-[[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]carbamoylamino]-2-phenylacetamide
CID 95338642
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 124880339

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide (CID 95296071) is N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide is C[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC[C@@H]1C.
What is the InChIKey of N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is RJQLYQJNNQSFKQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-7-5-6-10-22(12)18(24)13(2)20-17(23)16-11-19-14-8-3-4-9-15(14)21-16/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,20,23)/t12-,13+/m0/s1.
What are the key properties of N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 95296071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).