3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one

C26H33N3O2 — CID 25271307

IUPAC3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one
SMILESCCC1C(=O)CC(c2ccccc2)N(C(=O)CN2CCN(C)CC2)C1c1ccccc1
InChIInChI=1S/C26H33N3O2/c1-3-22-24(30)18-23(20-10-6-4-7-11-20)29(26(22)21-12-8-5-9-13-21)25(31)19-28-16-14-27(2)15-17-28/h4-13,22-23,26H,3,14-19H2,1-2H3
InChIKeyOHVAIXHVENNVJI-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.54
Rot. Bonds5

About 3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one

3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one (PubChem CID 25271307) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one
PubChem CID25271307
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one
SMILESCCC1C(=O)CC(c2ccccc2)N(C(=O)CN2CCN(C)CC2)C1c1ccccc1
InChIInChI=1S/C26H33N3O2/c1-3-22-24(30)18-23(20-10-6-4-7-11-20)29(26(22)21-12-8-5-9-13-21)25(31)19-28-16-14-27(2)15-17-28/h4-13,22-23,26H,3,14-19H2,1-2H3
InChIKeyOHVAIXHVENNVJI-UHFFFAOYSA-N
XLogP3.54
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
The IUPAC name of 3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one (CID 25271307) is 3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one.
What is the SMILES notation for 3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
The canonical SMILES for 3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one is CCC1C(=O)CC(c2ccccc2)N(C(=O)CN2CCN(C)CC2)C1c1ccccc1.
What is the InChIKey of 3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
The InChIKey is OHVAIXHVENNVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-3-22-24(30)18-23(20-10-6-4-7-11-20)29(26(22)21-12-8-5-9-13-21)25(31)19-28-16-14-27(2)15-17-28/h4-13,22-23,26H,3,14-19H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one has a molecular weight of 419.57 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one is sourced from PubChem (CID 25271307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).