N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide

C21H26N2O — CID 6466088

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-17-7-9-18(10-8-17)15-21(24)22-20-11-13-23(14-12-20)16-19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3,(H,22,24)
InChIKeyWJMWHVGJTOYZJI-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.32
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide (PubChem CID 6466088) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
PubChem CID6466088
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-17-7-9-18(10-8-17)15-21(24)22-20-11-13-23(14-12-20)16-19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3,(H,22,24)
InChIKeyWJMWHVGJTOYZJI-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.32
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-(4-methylphenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide (CID 6466088) is N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is WJMWHVGJTOYZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-7-9-18(10-8-17)15-21(24)22-20-11-13-23(14-12-20)16-19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 322.45 g/mol, XLogP of 3.32, 5 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 6466088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).