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

C20H26F2N4O3 — CID 123229607

IUPAC[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(CCn2c(=O)cnc3cc(F)c(F)cc32)CC1
InChIInChI=1S/C20H26F2N4O3/c1-20(2,3)24-19(28)29-13-4-6-25(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)
InChIKeyHMQJGLQBCMAMLS-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.66
Rot. Bonds4

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

[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 123229607) has the molecular formula C20H26F2N4O3 and a molecular weight of 408.45 g/mol. Its IUPAC name is [1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
PubChem CID123229607
Molecular FormulaC20H26F2N4O3
Molecular Weight408.45 g/mol
Exact Mass408.20
IUPAC Name[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(CCn2c(=O)cnc3cc(F)c(F)cc32)CC1
InChIInChI=1S/C20H26F2N4O3/c1-20(2,3)24-19(28)29-13-4-6-25(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)
InChIKeyHMQJGLQBCMAMLS-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

[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
CID 123961295
tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66773432
(1-ethylpiperidin-4-yl) N-tert-butylcarbamate
CID 174424226
[1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174908487
tert-butyl 2-[1-[2-(7-isocyano-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]acetate;2-(7-isocyano-2-oxoquinoxalin-1-yl)acetaldehyde
CID 158562746
tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 130201475
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67538741
tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 86642274
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-(4-bromo-2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate
CID 170167231
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;hydrochloride
CID 68927113
(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
CID 90693574

Frequently Asked Questions

What is the IUPAC name of [1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate (CID 123229607) is [1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(CCn2c(=O)cnc3cc(F)c(F)cc32)CC1.
What is the InChIKey of [1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is HMQJGLQBCMAMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O3/c1-20(2,3)24-19(28)29-13-4-6-25(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 [1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate?
[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate 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 [1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 123229607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).