N-(1-benzylpiperidin-4-yl)-2-methylbenzamide

C20H24N2O — CID 702493

IUPACN-(1-benzylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-16-7-5-6-10-19(16)20(23)21-18-11-13-22(14-12-18)15-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,21,23)
InChIKeyFTWWZLHLUCYAEG-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.39
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-2-methylbenzamide

N-(1-benzylpiperidin-4-yl)-2-methylbenzamide (PubChem CID 702493) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methylbenzamide
PubChem CID702493
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-16-7-5-6-10-19(16)20(23)21-18-11-13-22(14-12-18)15-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,21,23)
InChIKeyFTWWZLHLUCYAEG-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methylbenzamide (CID 702493) is N-(1-benzylpiperidin-4-yl)-2-methylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methylbenzamide?
The InChIKey is FTWWZLHLUCYAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-7-5-6-10-19(16)20(23)21-18-11-13-22(14-12-18)15-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methylbenzamide?
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide has a molecular weight of 308.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 702493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).