2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide

C17H26N2O3 — CID 77080552

IUPAC2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESCOCCC1CCCCN1Cc1cccc(OCC(N)=O)c1
InChIInChI=1S/C17H26N2O3/c1-21-10-8-15-6-2-3-9-19(15)12-14-5-4-7-16(11-14)22-13-17(18)20/h4-5,7,11,15H,2-3,6,8-10,12-13H2,1H3,(H2,18,20)
InChIKeyJNXIPYLCHPCPAM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.94
Rot. Bonds8

About 2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide

2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 77080552) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide
PubChem CID77080552
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESCOCCC1CCCCN1Cc1cccc(OCC(N)=O)c1
InChIInChI=1S/C17H26N2O3/c1-21-10-8-15-6-2-3-9-19(15)12-14-5-4-7-16(11-14)22-13-17(18)20/h4-5,7,11,15H,2-3,6,8-10,12-13H2,1H3,(H2,18,20)
InChIKeyJNXIPYLCHPCPAM-UHFFFAOYSA-N
XLogP1.94
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide (CID 77080552) is 2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide is COCCC1CCCCN1Cc1cccc(OCC(N)=O)c1.
What is the InChIKey of 2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is JNXIPYLCHPCPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-10-8-15-6-2-3-9-19(15)12-14-5-4-7-16(11-14)22-13-17(18)20/h4-5,7,11,15H,2-3,6,8-10,12-13H2,1H3,(H2,18,20).
What are the key properties of 2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 77080552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).