N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane

C17H28N2O — CID 142327017

IUPACN-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane
SMILESCC.CC(=O)NC1(Cc2ccccc2)CCN(C)CC1
InChIInChI=1S/C15H22N2O.C2H6/c1-13(18)16-15(8-10-17(2)11-9-15)12-14-6-4-3-5-7-14;1-2/h3-7H,8-12H2,1-2H3,(H,16,18);1-2H3
InChIKeyAWPLPXUKGOHRCE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.86
Rot. Bonds3

About N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane

N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane (PubChem CID 142327017) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane
PubChem CID142327017
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane
SMILESCC.CC(=O)NC1(Cc2ccccc2)CCN(C)CC1
InChIInChI=1S/C15H22N2O.C2H6/c1-13(18)16-15(8-10-17(2)11-9-15)12-14-6-4-3-5-7-14;1-2/h3-7H,8-12H2,1-2H3,(H,16,18);1-2H3
InChIKeyAWPLPXUKGOHRCE-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane?
The IUPAC name of N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane (CID 142327017) is N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane.
What is the SMILES notation for N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane?
The canonical SMILES for N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane is CC.CC(=O)NC1(Cc2ccccc2)CCN(C)CC1.
What is the InChIKey of N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane?
The InChIKey is AWPLPXUKGOHRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C2H6/c1-13(18)16-15(8-10-17(2)11-9-15)12-14-6-4-3-5-7-14;1-2/h3-7H,8-12H2,1-2H3,(H,16,18);1-2H3.
What are the key properties of N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane?
N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane has a molecular weight of 276.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane is sourced from PubChem (CID 142327017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).