2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C20H29FN2O2 — CID 2541990

IUPAC2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H29FN2O2/c21-17-7-9-18(10-8-17)25-15-19(24)22-16-20(11-3-1-4-12-20)23-13-5-2-6-14-23/h7-10H,1-6,11-16H2,(H,22,24)
InChIKeyFIOFUFDVGOZDQA-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.51
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 2541990) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID2541990
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H29FN2O2/c21-17-7-9-18(10-8-17)25-15-19(24)22-16-20(11-3-1-4-12-20)23-13-5-2-6-14-23/h7-10H,1-6,11-16H2,(H,22,24)
InChIKeyFIOFUFDVGOZDQA-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 2541990) is 2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is O=C(COc1ccc(F)cc1)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is FIOFUFDVGOZDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-17-7-9-18(10-8-17)25-15-19(24)22-16-20(11-3-1-4-12-20)23-13-5-2-6-14-23/h7-10H,1-6,11-16H2,(H,22,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 348.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 2541990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).