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

C20H27FN4O3 — CID 59397942

IUPACtert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1
InChIInChI=1S/C20H27FN4O3/c1-20(2,3)28-19(27)23-15-6-8-24(9-7-15)10-11-25-17-12-14(21)4-5-16(17)22-13-18(25)26/h4-5,12-13,15H,6-11H2,1-3H3,(H,23,27)
InChIKeyNRGATUQEMQPPNU-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.52
Rot. Bonds4

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

tert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 59397942) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
PubChem CID59397942
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Nametert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1
InChIInChI=1S/C20H27FN4O3/c1-20(2,3)28-19(27)23-15-6-8-24(9-7-15)10-11-25-17-12-14(21)4-5-16(17)22-13-18(25)26/h4-5,12-13,15H,6-11H2,1-3H3,(H,23,27)
InChIKeyNRGATUQEMQPPNU-UHFFFAOYSA-N
XLogP2.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.52
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-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate (CID 59397942) is tert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is NRGATUQEMQPPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-20(2,3)28-19(27)23-15-6-8-24(9-7-15)10-11-25-17-12-14(21)4-5-16(17)22-13-18(25)26/h4-5,12-13,15H,6-11H2,1-3H3,(H,23,27).
What are the key properties of tert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 390.46 g/mol, XLogP of 2.52, 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-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 59397942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).