1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone

C25H36N4O2 — CID 92589518

IUPAC1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone
SMILESCCc1nccn1CC1(O)CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C25H36N4O2/c1-2-23-26-12-17-29(23)20-25(31)10-15-27(16-11-25)19-24(30)28-13-8-22(9-14-28)18-21-6-4-3-5-7-21/h3-7,12,17,22,31H,2,8-11,13-16,18-20H2,1H3
InChIKeyAPRBCQMRZMFVPQ-UHFFFAOYSA-N
MW424.59 g/mol
LogP2.75
Rot. Bonds7

About 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone

1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone (PubChem CID 92589518) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone
PubChem CID92589518
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone
SMILESCCc1nccn1CC1(O)CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C25H36N4O2/c1-2-23-26-12-17-29(23)20-25(31)10-15-27(16-11-25)19-24(30)28-13-8-22(9-14-28)18-21-6-4-3-5-7-21/h3-7,12,17,22,31H,2,8-11,13-16,18-20H2,1H3
InChIKeyAPRBCQMRZMFVPQ-UHFFFAOYSA-N
XLogP2.75
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

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1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
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1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
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1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone (CID 92589518) is 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone is CCc1nccn1CC1(O)CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone?
The InChIKey is APRBCQMRZMFVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-2-23-26-12-17-29(23)20-25(31)10-15-27(16-11-25)19-24(30)28-13-8-22(9-14-28)18-21-6-4-3-5-7-21/h3-7,12,17,22,31H,2,8-11,13-16,18-20H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone has a molecular weight of 424.59 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 92589518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).