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

C21H26N2O2 — CID 3296345

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-7-17(8-10-20)15-21(24)22-19-11-13-23(14-12-19)16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24)
InChIKeyBZYUBSZYWOCNCB-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.02
Rot. Bonds6

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

N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 3296345) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID3296345
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-7-17(8-10-20)15-21(24)22-19-11-13-23(14-12-19)16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24)
InChIKeyBZYUBSZYWOCNCB-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide (CID 3296345) is N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is BZYUBSZYWOCNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-9-7-17(8-10-20)15-21(24)22-19-11-13-23(14-12-19)16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3296345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).