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

C16H19FN4O3 — CID 66844836

IUPAC[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1
InChIInChI=1S/C16H19FN4O3/c17-11-1-2-13-14(9-11)21(15(22)10-18-13)8-7-20-5-3-12(4-6-20)19-16(23)24/h1-2,9-10,12,19H,3-8H2,(H,23,24)
InChIKeyNKAFMWHBNSKICT-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.27
Rot. Bonds4

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

[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 66844836) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is [1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID66844836
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1
InChIInChI=1S/C16H19FN4O3/c17-11-1-2-13-14(9-11)21(15(22)10-18-13)8-7-20-5-3-12(4-6-20)19-16(23)24/h1-2,9-10,12,19H,3-8H2,(H,23,24)
InChIKeyNKAFMWHBNSKICT-UHFFFAOYSA-N
XLogP1.27
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid (CID 66844836) is [1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1.
What is the InChIKey of [1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is NKAFMWHBNSKICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c17-11-1-2-13-14(9-11)21(15(22)10-18-13)8-7-20-5-3-12(4-6-20)19-16(23)24/h1-2,9-10,12,19H,3-8H2,(H,23,24).
What are the key properties of [1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 334.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66844836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).