[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate

C21H30N4O4 — CID 123961295

IUPAC[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(OC(=O)NC(C)(C)C)CC3)c2c1
InChIInChI=1S/C21H30N4O4/c1-21(2,3)23-20(27)29-15-7-9-24(10-8-15)11-12-25-18-13-16(28-4)5-6-17(18)22-14-19(25)26/h5-6,13-15H,7-12H2,1-4H3,(H,23,27)
InChIKeyAYKHXUFXFMTVBL-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.39
Rot. Bonds5

About [1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate

[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 123961295) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is [1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
PubChem CID123961295
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(OC(=O)NC(C)(C)C)CC3)c2c1
InChIInChI=1S/C21H30N4O4/c1-21(2,3)23-20(27)29-15-7-9-24(10-8-15)11-12-25-18-13-16(28-4)5-6-17(18)22-14-19(25)26/h5-6,13-15H,7-12H2,1-4H3,(H,23,27)
InChIKeyAYKHXUFXFMTVBL-UHFFFAOYSA-N
XLogP2.39
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
CID 123229607
tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 86642274
1-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 172706824
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one
CID 59398367
tert-butyl N-[(3S,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 68993144
1-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one;1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one;2-(7-methoxy-2-oxoquinoxalin-1-yl)acetaldehyde
CID 158722312
1-[2-[4-[(4-chloro-3-nitrophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 130210982
tert-butyl-[(3S,4R)-3-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 67996141
1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride
CID 67498576
7-methoxy-1-[2-[4-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-methylamino]piperidin-1-yl]ethyl]quinoxalin-2-one;hydrochloride
CID 67539280
1-[2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 67538574

Frequently Asked Questions

What is the IUPAC name of [1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate (CID 123961295) is [1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate is COc1ccc2ncc(=O)n(CCN3CCC(OC(=O)NC(C)(C)C)CC3)c2c1.
What is the InChIKey of [1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is AYKHXUFXFMTVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-21(2,3)23-20(27)29-15-7-9-24(10-8-15)11-12-25-18-13-16(28-4)5-6-17(18)22-14-19(25)26/h5-6,13-15H,7-12H2,1-4H3,(H,23,27).
What are the key properties of [1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate?
[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 402.50 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 123961295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).