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

C20H27FN4O3 — CID 66774529

IUPACtert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1
InChIInChI=1S/C20H27FN4O3/c1-20(2,3)25(19(27)28)15-6-8-23(9-7-15)10-11-24-17-12-14(21)4-5-16(17)22-13-18(24)26/h4-5,12-13,15H,6-11H2,1-3H3,(H,27,28)
InChIKeyCTCNVCVTHLYPCQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.78
Rot. Bonds4

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

tert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 66774529) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is tert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID66774529
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Nametert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1
InChIInChI=1S/C20H27FN4O3/c1-20(2,3)25(19(27)28)15-6-8-23(9-7-15)10-11-24-17-12-14(21)4-5-16(17)22-13-18(24)26/h4-5,12-13,15H,6-11H2,1-3H3,(H,27,28)
InChIKeyCTCNVCVTHLYPCQ-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid (CID 66774529) is tert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid is CC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1.
What is the InChIKey of tert-butyl-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is CTCNVCVTHLYPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-20(2,3)25(19(27)28)15-6-8-23(9-7-15)10-11-24-17-12-14(21)4-5-16(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-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
tert-butyl-[1-[2-(7-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-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66774529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).