1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone

C20H24N4O3 — CID 91914199

IUPAC1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(Oc2nccnc2N2CCOCC2)C1
InChIInChI=1S/C20H24N4O3/c25-18(14-16-4-2-1-3-5-16)24-9-6-17(15-24)27-20-19(21-7-8-22-20)23-10-12-26-13-11-23/h1-5,7-8,17H,6,9-15H2
InChIKeyWMQUKKMCSBGMTI-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.54
Rot. Bonds5

About 1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone

1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone (PubChem CID 91914199) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone
PubChem CID91914199
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(Oc2nccnc2N2CCOCC2)C1
InChIInChI=1S/C20H24N4O3/c25-18(14-16-4-2-1-3-5-16)24-9-6-17(15-24)27-20-19(21-7-8-22-20)23-10-12-26-13-11-23/h1-5,7-8,17H,6,9-15H2
InChIKeyWMQUKKMCSBGMTI-UHFFFAOYSA-N
XLogP1.54
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91914180
1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 91628122
(2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91914182
1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90636962
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
2-(furan-3-yl)-1-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129006594
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100756830
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818
isoquinoline-1-carboxylic acid;4-(3-piperidin-4-yloxypyrazin-2-yl)morpholine;hydrochloride
CID 158102505
1-[4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]oxy]piperidin-1-yl]-2-phenylethanone
CID 91914135
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129475234

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone (CID 91914199) is 1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(Oc2nccnc2N2CCOCC2)C1.
What is the InChIKey of 1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is WMQUKKMCSBGMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-18(14-16-4-2-1-3-5-16)24-9-6-17(15-24)27-20-19(21-7-8-22-20)23-10-12-26-13-11-23/h1-5,7-8,17H,6,9-15H2.
What are the key properties of 1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone?
1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 368.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 91914199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).