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

C21H26N2O2 — CID 2729533

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-25-20-10-6-5-9-18(20)15-21(24)22-19-11-13-23(14-12-19)16-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,22,24)
InChIKeyFSSMCNONYPJAGO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.02
Rot. Bonds6

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

N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 2729533) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID2729533
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-25-20-10-6-5-9-18(20)15-21(24)22-19-11-13-23(14-12-19)16-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,22,24)
InChIKeyFSSMCNONYPJAGO-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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Related Compounds

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PF-429242
CID 23661637
2,6-Bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
CID 367137
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
N-(4-methoxyphenethyl)benzamide
CID 3083797
AC-90179
CID 9799308
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
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CID 14783871

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide (CID 2729533) is N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is FSSMCNONYPJAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-10-6-5-9-18(20)15-21(24)22-19-11-13-23(14-12-19)16-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(2-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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2729533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).