[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone

C19H22FNO2S — CID 53150660

IUPAC[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FNO2S/c20-17-4-1-3-16(13-17)14-23-11-8-15-6-9-21(10-7-15)19(22)18-5-2-12-24-18/h1-5,12-13,15H,6-11,14H2
InChIKeyQAHPXJNJLRJQOU-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.35
Rot. Bonds6

About [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 53150660) has the molecular formula C19H22FNO2S and a molecular weight of 347.45 g/mol. Its IUPAC name is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID53150660
Molecular FormulaC19H22FNO2S
Molecular Weight347.45 g/mol
Exact Mass347.14
IUPAC Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FNO2S/c20-17-4-1-3-16(13-17)14-23-11-8-15-6-9-21(10-7-15)19(22)18-5-2-12-24-18/h1-5,12-13,15H,6-11,14H2
InChIKeyQAHPXJNJLRJQOU-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 53150660) is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QAHPXJNJLRJQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c20-17-4-1-3-16(13-17)14-23-11-8-15-6-9-21(10-7-15)19(22)18-5-2-12-24-18/h1-5,12-13,15H,6-11,14H2.
What are the key properties of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 347.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 53150660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).