[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

C24H26N4O5 — CID 27449686

IUPAC[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESC[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C24H26N4O5/c1-16(22(30)28-15-21(29)26-19-9-5-6-10-20(19)28)33-23(31)17-11-13-27(14-12-17)24(32)25-18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3,(H,25,32)(H,26,29)/t16-/m1/s1
InChIKeyNKUHEELNWXPFNV-MRXNPFEDSA-N
MW450.50 g/mol
LogP2.85
Rot. Bonds4

About [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 27449686) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID27449686
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESC[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C24H26N4O5/c1-16(22(30)28-15-21(29)26-19-9-5-6-10-20(19)28)33-23(31)17-11-13-27(14-12-17)24(32)25-18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3,(H,25,32)(H,26,29)/t16-/m1/s1
InChIKeyNKUHEELNWXPFNV-MRXNPFEDSA-N
XLogP2.85
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836630
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 8738569
(1-anilino-1-oxopropan-2-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320775
methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate
CID 8754651
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899067
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836659
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836674
[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42902325
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 27507610
4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667506
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836618
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836505

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 27449686) is [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is NKUHEELNWXPFNV-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-16(22(30)28-15-21(29)26-19-9-5-6-10-20(19)28)33-23(31)17-11-13-27(14-12-17)24(32)25-18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3,(H,25,32)(H,26,29)/t16-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 450.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 27449686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).