(4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

C20H25N3O4 — CID 90636901

IUPAC(4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCCCCOc1ccc(C(=O)N2CCC(Oc3nccnc3OC)C2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-4-13-26-16-7-5-15(6-8-16)20(24)23-12-9-17(14-23)27-19-18(25-2)21-10-11-22-19/h5-8,10-11,17H,3-4,9,12-14H2,1-2H3
InChIKeyGCCREXDJTJOCLM-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.96
Rot. Bonds8

About (4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

(4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 90636901) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
PubChem CID90636901
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCCCCOc1ccc(C(=O)N2CCC(Oc3nccnc3OC)C2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-4-13-26-16-7-5-15(6-8-16)20(24)23-12-9-17(14-23)27-19-18(25-2)21-10-11-22-19/h5-8,10-11,17H,3-4,9,12-14H2,1-2H3
InChIKeyGCCREXDJTJOCLM-UHFFFAOYSA-N
XLogP2.96
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90636828
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 90636925
(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638234
1,3-benzodioxol-5-yl-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100756704
(3-bromopyrrolidin-1-yl)-(4-butoxyphenyl)methanone
CID 80677906
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100756385
[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 90636850
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
(4-ethoxyphenyl)-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91913913
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (CID 90636901) is (4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is CCCCOc1ccc(C(=O)N2CCC(Oc3nccnc3OC)C2)cc1.
What is the InChIKey of (4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is GCCREXDJTJOCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-4-13-26-16-7-5-15(6-8-16)20(24)23-12-9-17(14-23)27-19-18(25-2)21-10-11-22-19/h5-8,10-11,17H,3-4,9,12-14H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
(4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90636901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).