1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one

C19H23N3O3 — CID 100756830

IUPAC1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
SMILESCOc1nccnc1O[C@@H]1CCN(C(=O)CCCc2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-24-18-19(21-12-11-20-18)25-16-10-13-22(14-16)17(23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11-12,16H,5,8-10,13-14H2,1H3/t16-/m1/s1
InChIKeyPCPLFQIEPPQGPQ-MRXNPFEDSA-N
MW341.41 g/mol
LogP2.49
Rot. Bonds7

About 1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one

1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one (PubChem CID 100756830) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
PubChem CID100756830
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
SMILESCOc1nccnc1O[C@@H]1CCN(C(=O)CCCc2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-24-18-19(21-12-11-20-18)25-16-10-13-22(14-16)17(23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11-12,16H,5,8-10,13-14H2,1H3/t16-/m1/s1
InChIKeyPCPLFQIEPPQGPQ-MRXNPFEDSA-N
XLogP2.49
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(5-phenylpentanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636668
1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 91628122
1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90636962
3,3,3-trifluoro-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100757249
1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-4-phenylbutan-1-one
CID 122249968
N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 100757200
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100756540
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637150
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one
CID 122260810
4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one
CID 71801294
[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 90636850
1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one
CID 53185557

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one (CID 100756830) is 1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one is COc1nccnc1O[C@@H]1CCN(C(=O)CCCc2ccccc2)C1.
What is the InChIKey of 1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is PCPLFQIEPPQGPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-18-19(21-12-11-20-18)25-16-10-13-22(14-16)17(23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11-12,16H,5,8-10,13-14H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one?
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 341.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 100756830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).