2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone

C23H26N4O2 — CID 95838767

IUPAC2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3cccc(-n4ccnc4C)n3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-24-12-15-27(17)22-5-3-4-21(25-22)19-10-13-26(14-11-19)23(28)16-18-6-8-20(29-2)9-7-18/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3
InChIKeyIHVLATPBYIXPSI-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95838767) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID95838767
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3cccc(-n4ccnc4C)n3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-24-12-15-27(17)22-5-3-4-21(25-22)19-10-13-26(14-11-19)23(28)16-18-6-8-20(29-2)9-7-18/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3
InChIKeyIHVLATPBYIXPSI-UHFFFAOYSA-N
XLogP3.53
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone (CID 95838767) is 2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(c3cccc(-n4ccnc4C)n3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is IHVLATPBYIXPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-24-12-15-27(17)22-5-3-4-21(25-22)19-10-13-26(14-11-19)23(28)16-18-6-8-20(29-2)9-7-18/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 390.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95838767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).