4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide

C23H28N2O2 — CID 14096776

IUPAC4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-18(26)21-7-9-22(10-8-21)23(27)24-14-11-19-12-15-25(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,24,27)
InChIKeyXLGSDHUTYCHZPP-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.92
Rot. Bonds7

About 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide

4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide (PubChem CID 14096776) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
PubChem CID14096776
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-18(26)21-7-9-22(10-8-21)23(27)24-14-11-19-12-15-25(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,24,27)
InChIKeyXLGSDHUTYCHZPP-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide (CID 14096776) is 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide is CC(=O)c1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is XLGSDHUTYCHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18(26)21-7-9-22(10-8-21)23(27)24-14-11-19-12-15-25(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,24,27).
What are the key properties of 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide?
4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 14096776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).