1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

C18H21N3O3 — CID 95821938

IUPAC1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(Oc2cncc([C@@H]3CCCN(C(C)=O)C3)n2)c1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-8-4-5-14(12-21)17-10-19-11-18(20-17)24-16-7-3-6-15(9-16)23-2/h3,6-7,9-11,14H,4-5,8,12H2,1-2H3/t14-/m1/s1
InChIKeyNZBHBWOBKRIQDR-CQSZACIVSA-N
MW327.38 g/mol
LogP3.00
Rot. Bonds4

About 1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95821938) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95821938
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(Oc2cncc([C@@H]3CCCN(C(C)=O)C3)n2)c1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-8-4-5-14(12-21)17-10-19-11-18(20-17)24-16-7-3-6-15(9-16)23-2/h3,6-7,9-11,14H,4-5,8,12H2,1-2H3/t14-/m1/s1
InChIKeyNZBHBWOBKRIQDR-CQSZACIVSA-N
XLogP3.00
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256243
[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124975077
[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110256743
[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 129455824
[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
CID 124982819
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110091051
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522
2-methoxy-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822523
1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825262
1-[(3R)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825263
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95821938) is 1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is COc1cccc(Oc2cncc([C@@H]3CCCN(C(C)=O)C3)n2)c1.
What is the InChIKey of 1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is NZBHBWOBKRIQDR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)21-8-4-5-14(12-21)17-10-19-11-18(20-17)24-16-7-3-6-15(9-16)23-2/h3,6-7,9-11,14H,4-5,8,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 327.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95821938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).