2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide

C22H27FN2O3 — CID 71451456

IUPAC2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C22H27FN2O3/c1-2-27-21-9-4-3-8-20(21)22(26)24-18-10-12-25(13-11-18)14-15-28-19-7-5-6-17(23)16-19/h3-9,16,18H,2,10-15H2,1H3,(H,24,26)
InChIKeyAMFHRDQSGJPBOQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.50
Rot. Bonds8

About 2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide

2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide (PubChem CID 71451456) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide
PubChem CID71451456
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C22H27FN2O3/c1-2-27-21-9-4-3-8-20(21)22(26)24-18-10-12-25(13-11-18)14-15-28-19-7-5-6-17(23)16-19/h3-9,16,18H,2,10-15H2,1H3,(H,24,26)
InChIKeyAMFHRDQSGJPBOQ-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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AdipoRon
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2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
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2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
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5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
GT-0198
CID 71584823
N-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide (CID 71451456) is 2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide is CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1.
What is the InChIKey of 2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide?
The InChIKey is AMFHRDQSGJPBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-2-27-21-9-4-3-8-20(21)22(26)24-18-10-12-25(13-11-18)14-15-28-19-7-5-6-17(23)16-19/h3-9,16,18H,2,10-15H2,1H3,(H,24,26).
What are the key properties of 2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide?
2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide has a molecular weight of 386.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 71451456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).