4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one

C16H21N3O4 — CID 90637078

IUPAC4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
SMILESCOc1nccnc1OC1CCN(C(=O)C2CCC(=O)CC2)C1
InChIInChI=1S/C16H21N3O4/c1-22-14-15(18-8-7-17-14)23-13-6-9-19(10-13)16(21)11-2-4-12(20)5-3-11/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyCSXSXFCZLUJFOP-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.22
Rot. Bonds4

About 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one

4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one (PubChem CID 90637078) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
PubChem CID90637078
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
SMILESCOc1nccnc1OC1CCN(C(=O)C2CCC(=O)CC2)C1
InChIInChI=1S/C16H21N3O4/c1-22-14-15(18-8-7-17-14)23-13-6-9-19(10-13)16(21)11-2-4-12(20)5-3-11/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyCSXSXFCZLUJFOP-UHFFFAOYSA-N
XLogP1.22
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757116
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757122
(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 100612118
4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 91628163
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636988
3,3,3-trifluoro-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100757249
1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636858
methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 100757200
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637150
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 90636998

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one?
The IUPAC name of 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one (CID 90637078) is 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one?
The canonical SMILES for 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one is COc1nccnc1OC1CCN(C(=O)C2CCC(=O)CC2)C1.
What is the InChIKey of 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one?
The InChIKey is CSXSXFCZLUJFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-22-14-15(18-8-7-17-14)23-13-6-9-19(10-13)16(21)11-2-4-12(20)5-3-11/h7-8,11,13H,2-6,9-10H2,1H3.
What are the key properties of 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one?
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one has a molecular weight of 319.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one is sourced from PubChem (CID 90637078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).