4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide

C25H29N5O5 — CID 53091089

IUPAC4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1
InChIInChI=1S/C25H29N5O5/c1-2-35-19-9-7-18(8-10-19)27-25(34)30-16-23(32)29(20-5-3-4-6-21(20)30)15-22(31)28-13-11-17(12-14-28)24(26)33/h3-10,17H,2,11-16H2,1H3,(H2,26,33)(H,27,34)
InChIKeyNCMAXSPGTCYIGC-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.19
Rot. Bonds6

About 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide

4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 53091089) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID53091089
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1
InChIInChI=1S/C25H29N5O5/c1-2-35-19-9-7-18(8-10-19)27-25(34)30-16-23(32)29(20-5-3-4-6-21(20)30)15-22(31)28-13-11-17(12-14-28)24(26)33/h3-10,17H,2,11-16H2,1H3,(H2,26,33)(H,27,34)
InChIKeyNCMAXSPGTCYIGC-UHFFFAOYSA-N
XLogP2.19
TPSA125.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-quinoxaline-1-carboxamide
CID 53091096
4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091082
N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091095
N-(4-ethoxyphenyl)-3-oxo-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-2H-quinoxaline-1-carboxamide
CID 95075252
4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53008743
4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091019
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-benzyl-4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579772
4-[2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 92752235
1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide
CID 53299026
ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate
CID 701838
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide (CID 53091089) is 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide is CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1.
What is the InChIKey of 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is NCMAXSPGTCYIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-2-35-19-9-7-18(8-10-19)27-25(34)30-16-23(32)29(20-5-3-4-6-21(20)30)15-22(31)28-13-11-17(12-14-28)24(26)33/h3-10,17H,2,11-16H2,1H3,(H2,26,33)(H,27,34).
What are the key properties of 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 53091089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).