N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide

C13H25FN2O4 — CID 171082751

IUPACN-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCOC1CCN(F)CC1
InChIInChI=1S/C13H25FN2O4/c1-12(17)15-4-7-18-8-9-19-10-11-20-13-2-5-16(14)6-3-13/h13H,2-11H2,1H3,(H,15,17)
InChIKeyYZGWHTKMLGMIGM-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.52
Rot. Bonds10

About N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide

N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide (PubChem CID 171082751) has the molecular formula C13H25FN2O4 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide
PubChem CID171082751
Molecular FormulaC13H25FN2O4
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCOC1CCN(F)CC1
InChIInChI=1S/C13H25FN2O4/c1-12(17)15-4-7-18-8-9-19-10-11-20-13-2-5-16(14)6-3-13/h13H,2-11H2,1H3,(H,15,17)
InChIKeyYZGWHTKMLGMIGM-UHFFFAOYSA-N
XLogP0.52
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide (CID 171082751) is N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide is CC(=O)NCCOCCOCCOC1CCN(F)CC1.
What is the InChIKey of N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide?
The InChIKey is YZGWHTKMLGMIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O4/c1-12(17)15-4-7-18-8-9-19-10-11-20-13-2-5-16(14)6-3-13/h13H,2-11H2,1H3,(H,15,17).
What are the key properties of N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide?
N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide has a molecular weight of 292.35 g/mol, XLogP of 0.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(1-fluoropiperidin-4-yl)oxyethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 171082751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).