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

C20H24FNO2S — CID 53150621

IUPAC1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FNO2S/c21-18-4-1-3-17(13-18)15-24-11-8-16-6-9-22(10-7-16)20(23)14-19-5-2-12-25-19/h1-5,12-13,16H,6-11,14-15H2
InChIKeyOMPQCMXOHQRWCM-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.28
Rot. Bonds7

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

1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 53150621) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID53150621
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FNO2S/c21-18-4-1-3-17(13-18)15-24-11-8-16-6-9-22(10-7-16)20(23)14-19-5-2-12-25-19/h1-5,12-13,16H,6-11,14-15H2
InChIKeyOMPQCMXOHQRWCM-UHFFFAOYSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.28
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 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 53150621) is 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is OMPQCMXOHQRWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c21-18-4-1-3-17(13-18)15-24-11-8-16-6-9-22(10-7-16)20(23)14-19-5-2-12-25-19/h1-5,12-13,16H,6-11,14-15H2.
What are the key properties of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 361.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 53150621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).