tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid

C20H27FN4O3 — CID 66773432

IUPACtert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)cnc3cc(F)ccc32)CC1
InChIInChI=1S/C20H27FN4O3/c1-20(2,3)25(19(27)28)15-6-8-23(9-7-15)10-11-24-17-5-4-14(21)12-16(17)22-13-18(24)26/h4-5,12-13,15H,6-11H2,1-3H3,(H,27,28)
InChIKeyJHVMVOLGTYMZOL-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.78
Rot. Bonds4

About tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid

tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 66773432) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID66773432
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Nametert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)cnc3cc(F)ccc32)CC1
InChIInChI=1S/C20H27FN4O3/c1-20(2,3)25(19(27)28)15-6-8-23(9-7-15)10-11-24-17-5-4-14(21)12-16(17)22-13-18(24)26/h4-5,12-13,15H,6-11H2,1-3H3,(H,27,28)
InChIKeyJHVMVOLGTYMZOL-UHFFFAOYSA-N
XLogP2.78
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66774842
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
tert-butyl-[1-[3-(5-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]carbamic acid
CID 67854468
tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66775309
[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
CID 123229607
tert-butyl-[1-[2-(7-chloro-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 86652542
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67538741
tert-butyl-[1-[3-(2,5-difluorophenyl)prop-2-enyl]piperidin-4-yl]carbamic acid
CID 66773409
1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67539702
tert-butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate;1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one
CID 158766926
(E)-but-2-enedioic acid;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one
CID 68994859
tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid
CID 66839927

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid (CID 66773432) is tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid is CC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)cnc3cc(F)ccc32)CC1.
What is the InChIKey of tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is JHVMVOLGTYMZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-20(2,3)25(19(27)28)15-6-8-23(9-7-15)10-11-24-17-5-4-14(21)12-16(17)22-13-18(24)26/h4-5,12-13,15H,6-11H2,1-3H3,(H,27,28).
What are the key properties of tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 390.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66773432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).