2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone

C18H19N3O4 — CID 91627905

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cccc2c1OCCO2)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C18H19N3O4/c22-18(14-4-1-5-15-17(14)24-10-9-23-15)21-8-2-3-13(12-21)25-16-11-19-6-7-20-16/h1,4-7,11,13H,2-3,8-10,12H2
InChIKeyWYRDICWYWMSXCT-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.93
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone

2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone (PubChem CID 91627905) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
PubChem CID91627905
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cccc2c1OCCO2)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C18H19N3O4/c22-18(14-4-1-5-15-17(14)24-10-9-23-15)21-8-2-3-13(12-21)25-16-11-19-6-7-20-16/h1,4-7,11,13H,2-3,8-10,12H2
InChIKeyWYRDICWYWMSXCT-UHFFFAOYSA-N
XLogP1.93
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chloropiperidin-1-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 55188169
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644461
(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 100644338
(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 91627868
tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate
CID 95178815
[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100647150
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
[3-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone;hydrochloride
CID 119593436
2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 129356194

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone (CID 91627905) is 2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone is O=C(c1cccc2c1OCCO2)N1CCCC(Oc2cnccn2)C1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is WYRDICWYWMSXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-18(14-4-1-5-15-17(14)24-10-9-23-15)21-8-2-3-13(12-21)25-16-11-19-6-7-20-16/h1,4-7,11,13H,2-3,8-10,12H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 341.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 91627905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).