(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C17H19N3O3 — CID 90636090

IUPAC(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(Oc3cnccn3)C2)cc1
InChIInChI=1S/C17H19N3O3/c1-2-22-14-5-3-13(4-6-14)17(21)20-10-7-15(12-20)23-16-11-18-8-9-19-16/h3-6,8-9,11,15H,2,7,10,12H2,1H3
InChIKeyDMPUIVYZJLQEQK-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.17
Rot. Bonds5

About (4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 90636090) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID90636090
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(Oc3cnccn3)C2)cc1
InChIInChI=1S/C17H19N3O3/c1-2-22-14-5-3-13(4-6-14)17(21)20-10-7-15(12-20)23-16-11-18-8-9-19-16/h3-6,8-9,11,15H,2,7,10,12H2,1H3
InChIKeyDMPUIVYZJLQEQK-UHFFFAOYSA-N
XLogP2.17
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637338
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636200
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
CID 90636072
(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161847
(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636127
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636093
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 90636090) is (4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is CCOc1ccc(C(=O)N2CCC(Oc3cnccn3)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is DMPUIVYZJLQEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-22-14-5-3-13(4-6-14)17(21)20-10-7-15(12-20)23-16-11-18-8-9-19-16/h3-6,8-9,11,15H,2,7,10,12H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90636090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).