4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C20H24N2O2 — CID 952362

IUPAC4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-19-11-7-17(8-12-19)20(23)21-18-9-5-16(6-10-18)15-22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyIYGYGFXIJSVXJC-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.93
Rot. Bonds5

About 4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 952362) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID952362
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-19-11-7-17(8-12-19)20(23)21-18-9-5-16(6-10-18)15-22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyIYGYGFXIJSVXJC-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 952362) is 4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is IYGYGFXIJSVXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-11-7-17(8-12-19)20(23)21-18-9-5-16(6-10-18)15-22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23).
What are the key properties of 4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 952362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).