tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate

C20H26F2N4O3 — CID 90849285

IUPACtert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3cc(F)cc(F)c32)CC1
InChIInChI=1S/C20H26F2N4O3/c1-20(2,3)29-19(28)24-14-4-6-25(7-5-14)8-9-26-17(27)12-23-16-11-13(21)10-15(22)18(16)26/h10-12,14H,4-9H2,1-3H3,(H,24,28)
InChIKeyMZYUOTYSGGHXAO-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 90849285) has the molecular formula C20H26F2N4O3 and a molecular weight of 408.45 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
PubChem CID90849285
Molecular FormulaC20H26F2N4O3
Molecular Weight408.45 g/mol
Exact Mass408.20
IUPAC Nametert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3cc(F)cc(F)c32)CC1
InChIInChI=1S/C20H26F2N4O3/c1-20(2,3)29-19(28)24-14-4-6-25(7-5-14)8-9-26-17(27)12-23-16-11-13(21)10-15(22)18(16)26/h10-12,14H,4-9H2,1-3H3,(H,24,28)
InChIKeyMZYUOTYSGGHXAO-UHFFFAOYSA-N
XLogP2.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate (CID 90849285) is tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3cc(F)cc(F)c32)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is MZYUOTYSGGHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O3/c1-20(2,3)29-19(28)24-14-4-6-25(7-5-14)8-9-26-17(27)12-23-16-11-13(21)10-15(22)18(16)26/h10-12,14H,4-9H2,1-3H3,(H,24,28).
What are the key properties of tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 408.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(6,8-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 90849285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).