2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one

C15H23N3O2 — CID 90558966

IUPAC2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-12(4-2)15(19)18-9-5-13(6-10-18)20-14-11-16-7-8-17-14/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeyMVTXVKUPCXVKDE-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.28
Rot. Bonds5

About 2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one

2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one (PubChem CID 90558966) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
PubChem CID90558966
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-12(4-2)15(19)18-9-5-13(6-10-18)20-14-11-16-7-8-17-14/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeyMVTXVKUPCXVKDE-UHFFFAOYSA-N
XLogP2.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 71799224
3-chloro-1-(4-pyrazin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558978
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
4-chloro-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558979
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
CID 90636072
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
(4-pyrazin-2-yloxypiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95811378
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one (CID 90558966) is 2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one is CCC(CC)C(=O)N1CCC(Oc2cnccn2)CC1.
What is the InChIKey of 2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one?
The InChIKey is MVTXVKUPCXVKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12(4-2)15(19)18-9-5-13(6-10-18)20-14-11-16-7-8-17-14/h7-8,11-13H,3-6,9-10H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one?
2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one has a molecular weight of 277.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 90558966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).