1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone

C24H27N3O2 — CID 11280721

IUPAC1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O2/c1-29-19-22(28)26-15-12-24(13-16-26,21-10-6-3-7-11-21)23-25-14-17-27(23)18-20-8-4-2-5-9-20/h2-11,14,17H,12-13,15-16,18-19H2,1H3
InChIKeyXESIYKHUDOXYHW-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.49
Rot. Bonds6

About 1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone

1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone (PubChem CID 11280721) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone
PubChem CID11280721
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O2/c1-29-19-22(28)26-15-12-24(13-16-26,21-10-6-3-7-11-21)23-25-14-17-27(23)18-20-8-4-2-5-9-20/h2-11,14,17H,12-13,15-16,18-19H2,1H3
InChIKeyXESIYKHUDOXYHW-UHFFFAOYSA-N
XLogP3.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone (CID 11280721) is 1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone?
The InChIKey is XESIYKHUDOXYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-19-22(28)26-15-12-24(13-16-26,21-10-6-3-7-11-21)23-25-14-17-27(23)18-20-8-4-2-5-9-20/h2-11,14,17H,12-13,15-16,18-19H2,1H3.
What are the key properties of 1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone?
1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone has a molecular weight of 389.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 11280721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).