[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

C20H24FNO2S — CID 53150625

IUPAC[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FNO2S/c1-15-8-12-25-19(15)20(23)22-9-5-16(6-10-22)7-11-24-14-17-3-2-4-18(21)13-17/h2-4,8,12-13,16H,5-7,9-11,14H2,1H3
InChIKeyOSRKZEUGUPZGLV-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.65
Rot. Bonds6

About [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 53150625) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID53150625
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FNO2S/c1-15-8-12-25-19(15)20(23)22-9-5-16(6-10-22)7-11-24-14-17-3-2-4-18(21)13-17/h2-4,8,12-13,16H,5-7,9-11,14H2,1H3
InChIKeyOSRKZEUGUPZGLV-UHFFFAOYSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.65
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]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 53150625) is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is OSRKZEUGUPZGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-15-8-12-25-19(15)20(23)22-9-5-16(6-10-22)7-11-24-14-17-3-2-4-18(21)13-17/h2-4,8,12-13,16H,5-7,9-11,14H2,1H3.
What are the key properties of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 361.48 g/mol, XLogP of 4.65, 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]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 53150625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).