N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide

C16H24N2O2 — CID 8544001

IUPACN-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-6-4-14(5-7-15)17-16(19)12-18-10-8-13(2)9-11-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyUNBNBMHPCGZDKA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.76
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide

N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 8544001) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID8544001
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-6-4-14(5-7-15)17-16(19)12-18-10-8-13(2)9-11-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyUNBNBMHPCGZDKA-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide (CID 8544001) is N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide is CCOc1ccc(NC(=O)CN2CCC(C)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is UNBNBMHPCGZDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-6-4-14(5-7-15)17-16(19)12-18-10-8-13(2)9-11-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 8544001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).