tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate

C20H26F2N4O3 — CID 86642644

IUPACtert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3cc(F)c(F)cc32)CC1
InChIInChI=1S/C20H26F2N4O3/c1-20(2,3)29-19(28)24-13-4-6-25(7-5-13)8-9-26-17-11-15(22)14(21)10-16(17)23-12-18(26)27/h10-13H,4-9H2,1-3H3,(H,24,28)
InChIKeyRCOOMRHVKNCDRK-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 86642644) has the molecular formula C20H26F2N4O3 and a molecular weight of 408.45 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
PubChem CID86642644
Molecular FormulaC20H26F2N4O3
Molecular Weight408.45 g/mol
Exact Mass408.20
IUPAC Nametert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3cc(F)c(F)cc32)CC1
InChIInChI=1S/C20H26F2N4O3/c1-20(2,3)29-19(28)24-13-4-6-25(7-5-13)8-9-26-17-11-15(22)14(21)10-16(17)23-12-18(26)27/h10-13H,4-9H2,1-3H3,(H,24,28)
InChIKeyRCOOMRHVKNCDRK-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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Related Compounds

2-(2-oxoquinoxalin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 16231331
Tert-butyl 4-[(2-aminophenyl)amino]piperidine-1-carboxylate
CID 11380765
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
CID 25162630
tert-butyl 4-(2,4-difluoroanilino)tetrahydro-1(2H)-pyridinecarboxylate
CID 1491505
tert-butyl N-[(3R,4S)-4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]-1-formylpiperidin-3-yl]carbamate
CID 11964863
Tert-butyl 1-(3,5-difluorophenyl)piperidin-4-ylcarbamate
CID 21090457
Tert-butyl 1-(4-fluorophenyl)piperidin-4-ylcarbamate
CID 21090461
1-Boc-4-[(3,4-difluorophenyl)amino]-piperidine
CID 22558033
tert-Butyl 4-(2-amino-3-fluorophenylamino)piperidine-1-carboxylate
CID 53255721
tert-Butyl 1-(2-amino-3-fluorophenyl)piperidin-4-ylcarbamate
CID 53255754
tert-Butyl 1-(2-amino-4-fluorophenyl)piperidin-4-ylcarbamate
CID 53255760
tert-Butyl 4-((2-amino-4-fluorophenyl)amino)piperidine-1-carboxylate
CID 53255761

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate (CID 86642644) is tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3cc(F)c(F)cc32)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is RCOOMRHVKNCDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O3/c1-20(2,3)29-19(28)24-13-4-6-25(7-5-13)8-9-26-17-11-15(22)14(21)10-16(17)23-12-18(26)27/h10-13H,4-9H2,1-3H3,(H,24,28).
What are the key properties of tert-butyl N-[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(6,7-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-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 86642644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).