2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone

C15H21N3O2 — CID 127246236

IUPAC2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone
SMILESO=C(CC1CCCC1)N1CCOC(c2cnccn2)C1
InChIInChI=1S/C15H21N3O2/c19-15(9-12-3-1-2-4-12)18-7-8-20-14(11-18)13-10-16-5-6-17-13/h5-6,10,12,14H,1-4,7-9,11H2
InChIKeyQUYPMVFROKJLDE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.96
Rot. Bonds3

About 2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone

2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone (PubChem CID 127246236) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone
PubChem CID127246236
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone
SMILESO=C(CC1CCCC1)N1CCOC(c2cnccn2)C1
InChIInChI=1S/C15H21N3O2/c19-15(9-12-3-1-2-4-12)18-7-8-20-14(11-18)13-10-16-5-6-17-13/h5-6,10,12,14H,1-4,7-9,11H2
InChIKeyQUYPMVFROKJLDE-UHFFFAOYSA-N
XLogP1.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone (CID 127246236) is 2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone is O=C(CC1CCCC1)N1CCOC(c2cnccn2)C1.
What is the InChIKey of 2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone?
The InChIKey is QUYPMVFROKJLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(9-12-3-1-2-4-12)18-7-8-20-14(11-18)13-10-16-5-6-17-13/h5-6,10,12,14H,1-4,7-9,11H2.
What are the key properties of 2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone?
2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone is sourced from PubChem (CID 127246236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).