2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine

C20H23N5O2 — CID 124950353

IUPAC2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine
SMILESCOc1cccc(Oc2cncc([C@H]3CCCN(Cc4cnc[nH]4)C3)n2)c1
InChIInChI=1S/C20H23N5O2/c1-26-17-5-2-6-18(8-17)27-20-11-21-10-19(24-20)15-4-3-7-25(12-15)13-16-9-22-14-23-16/h2,5-6,8-11,14-15H,3-4,7,12-13H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyDBFJJIYIKJUZLV-HNNXBMFYSA-N
MW365.44 g/mol
LogP3.38
Rot. Bonds6

About 2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine

2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine (PubChem CID 124950353) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine.

Molecular Properties

Compound Name2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine
PubChem CID124950353
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine
SMILESCOc1cccc(Oc2cncc([C@H]3CCCN(Cc4cnc[nH]4)C3)n2)c1
InChIInChI=1S/C20H23N5O2/c1-26-17-5-2-6-18(8-17)27-20-11-21-10-19(24-20)15-4-3-7-25(12-15)13-16-9-22-14-23-16/h2,5-6,8-11,14-15H,3-4,7,12-13H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyDBFJJIYIKJUZLV-HNNXBMFYSA-N
XLogP3.38
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256243
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124975077
2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 110256162
[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110256743
[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
CID 124982819
[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 129455824
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 124972275
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
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
2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 95823368

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine?
The IUPAC name of 2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine (CID 124950353) is 2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine.
What is the SMILES notation for 2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine?
The canonical SMILES for 2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine is COc1cccc(Oc2cncc([C@H]3CCCN(Cc4cnc[nH]4)C3)n2)c1.
What is the InChIKey of 2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine?
The InChIKey is DBFJJIYIKJUZLV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-26-17-5-2-6-18(8-17)27-20-11-21-10-19(24-20)15-4-3-7-25(12-15)13-16-9-22-14-23-16/h2,5-6,8-11,14-15H,3-4,7,12-13H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine?
2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine has a molecular weight of 365.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine is sourced from PubChem (CID 124950353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).