3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one

C15H19N3O — CID 95563134

IUPAC3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one
SMILESCC[C@@H]1CCCCN1c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O/c1-2-11-7-5-6-10-18(11)14-15(19)17-13-9-4-3-8-12(13)16-14/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyYIKJNQWBCMRXFA-LLVKDONJSA-N
MW257.34 g/mol
LogP2.69
Rot. Bonds2

About 3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one

3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one (PubChem CID 95563134) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one
PubChem CID95563134
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one
SMILESCC[C@@H]1CCCCN1c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O/c1-2-11-7-5-6-10-18(11)14-15(19)17-13-9-4-3-8-12(13)16-14/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyYIKJNQWBCMRXFA-LLVKDONJSA-N
XLogP2.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one (CID 95563134) is 3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one is CC[C@@H]1CCCCN1c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one?
The InChIKey is YIKJNQWBCMRXFA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-11-7-5-6-10-18(11)14-15(19)17-13-9-4-3-8-12(13)16-14/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one?
3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one is sourced from PubChem (CID 95563134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).