1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone

C19H22FNO2S — CID 53150755

IUPAC1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FNO2S/c20-16-3-1-4-17(13-16)23-11-8-15-6-9-21(10-7-15)19(22)14-18-5-2-12-24-18/h1-5,12-13,15H,6-11,14H2
InChIKeyBNJZGHNCUNHMLE-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.14
Rot. Bonds6

About 1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 53150755) has the molecular formula C19H22FNO2S and a molecular weight of 347.45 g/mol. Its IUPAC name is 1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID53150755
Molecular FormulaC19H22FNO2S
Molecular Weight347.45 g/mol
Exact Mass347.14
IUPAC Name1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FNO2S/c20-16-3-1-4-17(13-16)23-11-8-15-6-9-21(10-7-15)19(22)14-18-5-2-12-24-18/h1-5,12-13,15H,6-11,14H2
InChIKeyBNJZGHNCUNHMLE-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 53150755) is 1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(CCOc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is BNJZGHNCUNHMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c20-16-3-1-4-17(13-16)23-11-8-15-6-9-21(10-7-15)19(22)14-18-5-2-12-24-18/h1-5,12-13,15H,6-11,14H2.
What are the key properties of 1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 347.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 53150755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).