[2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

C26H25N5O2 — CID 110149181

IUPAC[2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cn1ccnc1)N1CCCC(c2nccnc2Oc2ccccc2)C1
InChIInChI=1S/C26H25N5O2/c32-26(23-11-5-4-7-20(23)17-30-16-14-27-19-30)31-15-6-8-21(18-31)24-25(29-13-12-28-24)33-22-9-2-1-3-10-22/h1-5,7,9-14,16,19,21H,6,8,15,17-18H2
InChIKeySWHRZUPKZBPBAY-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.53
Rot. Bonds6

About [2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

[2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 110149181) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is [2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID110149181
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name[2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cn1ccnc1)N1CCCC(c2nccnc2Oc2ccccc2)C1
InChIInChI=1S/C26H25N5O2/c32-26(23-11-5-4-7-20(23)17-30-16-14-27-19-30)31-15-6-8-21(18-31)24-25(29-13-12-28-24)33-22-9-2-1-3-10-22/h1-5,7,9-14,16,19,21H,6,8,15,17-18H2
InChIKeySWHRZUPKZBPBAY-UHFFFAOYSA-N
XLogP4.53
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 129454307
[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 132772994
[2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150630
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129454205
[3-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 125015528
[3-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150633
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 95314140
[2-(imidazol-1-ylmethyl)phenyl]-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]methanone
CID 129455506
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95822861
(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110151084

Frequently Asked Questions

What is the IUPAC name of [2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (CID 110149181) is [2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is O=C(c1ccccc1Cn1ccnc1)N1CCCC(c2nccnc2Oc2ccccc2)C1.
What is the InChIKey of [2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is SWHRZUPKZBPBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-26(23-11-5-4-7-20(23)17-30-16-14-27-19-30)31-15-6-8-21(18-31)24-25(29-13-12-28-24)33-22-9-2-1-3-10-22/h1-5,7,9-14,16,19,21H,6,8,15,17-18H2.
What are the key properties of [2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
[2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 439.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110149181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).