4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide

C28H32N2O — CID 2273336

IUPAC4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H32N2O/c1-2-25-10-6-7-11-27(25)29-28(31)26-14-12-24(13-15-26)21-30-18-16-23(17-19-30)20-22-8-4-3-5-9-22/h3-15,23H,2,16-21H2,1H3,(H,29,31)
InChIKeyDALKRTJBJIKPPL-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.96
Rot. Bonds7

About 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide

4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide (PubChem CID 2273336) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
PubChem CID2273336
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H32N2O/c1-2-25-10-6-7-11-27(25)29-28(31)26-14-12-24(13-15-26)21-30-18-16-23(17-19-30)20-22-8-4-3-5-9-22/h3-15,23H,2,16-21H2,1H3,(H,29,31)
InChIKeyDALKRTJBJIKPPL-UHFFFAOYSA-N
XLogP5.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide?
The IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide (CID 2273336) is 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide?
The InChIKey is DALKRTJBJIKPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-2-25-10-6-7-11-27(25)29-28(31)26-14-12-24(13-15-26)21-30-18-16-23(17-19-30)20-22-8-4-3-5-9-22/h3-15,23H,2,16-21H2,1H3,(H,29,31).
What are the key properties of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide?
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide has a molecular weight of 412.58 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 2273336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).