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

C18H21N3O3 — CID 95821902

IUPAC1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(C)=O)C1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-11-5-6-14(12-21)17-18(20-10-9-19-17)24-16-8-4-3-7-15(16)23-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3/t14-/m1/s1
InChIKeyKKHCQHYORACCPK-CQSZACIVSA-N
MW327.38 g/mol
LogP3.00
Rot. Bonds4

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

1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95821902) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95821902
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(C)=O)C1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-11-5-6-14(12-21)17-18(20-10-9-19-17)24-16-8-4-3-7-15(16)23-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3/t14-/m1/s1
InChIKeyKKHCQHYORACCPK-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

2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823252
1-[3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256201
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
1-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821922
[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 125008764
[3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 110151576
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243
2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine
CID 125003830
2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823499
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355
3-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 175654669
[(3R)-3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823091

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95821902) is 1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(C)=O)C1.
What is the InChIKey of 1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is KKHCQHYORACCPK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)21-11-5-6-14(12-21)17-18(20-10-9-19-17)24-16-8-4-3-7-15(16)23-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[(3R)-3-[3-(2-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-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95821902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).