3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one

C26H33N3O2 — CID 25271308

IUPAC3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one
SMILESCC1C(=O)C(C)C(c2ccccc2)N(C(=O)CN2CCN(C)CC2)C1c1ccccc1
InChIInChI=1S/C26H33N3O2/c1-19-24(21-10-6-4-7-11-21)29(23(30)18-28-16-14-27(3)15-17-28)25(20(2)26(19)31)22-12-8-5-9-13-22/h4-13,19-20,24-25H,14-18H2,1-3H3
InChIKeyDNPQOVBVUMDZPW-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.40
Rot. Bonds4

About 3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one

3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one (PubChem CID 25271308) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one
PubChem CID25271308
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one
SMILESCC1C(=O)C(C)C(c2ccccc2)N(C(=O)CN2CCN(C)CC2)C1c1ccccc1
InChIInChI=1S/C26H33N3O2/c1-19-24(21-10-6-4-7-11-21)29(23(30)18-28-16-14-27(3)15-17-28)25(20(2)26(19)31)22-12-8-5-9-13-22/h4-13,19-20,24-25H,14-18H2,1-3H3
InChIKeyDNPQOVBVUMDZPW-UHFFFAOYSA-N
XLogP3.40
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
The IUPAC name of 3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one (CID 25271308) is 3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one.
What is the SMILES notation for 3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
The canonical SMILES for 3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one is CC1C(=O)C(C)C(c2ccccc2)N(C(=O)CN2CCN(C)CC2)C1c1ccccc1.
What is the InChIKey of 3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
The InChIKey is DNPQOVBVUMDZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-24(21-10-6-4-7-11-21)29(23(30)18-28-16-14-27(3)15-17-28)25(20(2)26(19)31)22-12-8-5-9-13-22/h4-13,19-20,24-25H,14-18H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one has a molecular weight of 419.57 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one is sourced from PubChem (CID 25271308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).