[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

C20H24FNO2S — CID 53150626

IUPAC[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(CCOCc3cccc(F)c3)CC2)s1
InChIInChI=1S/C20H24FNO2S/c1-15-5-6-19(25-15)20(23)22-10-7-16(8-11-22)9-12-24-14-17-3-2-4-18(21)13-17/h2-6,13,16H,7-12,14H2,1H3
InChIKeyGHZHTPXRQSZZJM-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.65
Rot. Bonds6

About [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 53150626) 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]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID53150626
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(CCOCc3cccc(F)c3)CC2)s1
InChIInChI=1S/C20H24FNO2S/c1-15-5-6-19(25-15)20(23)22-10-7-16(8-11-22)9-12-24-14-17-3-2-4-18(21)13-17/h2-6,13,16H,7-12,14H2,1H3
InChIKeyGHZHTPXRQSZZJM-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]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 53150626) is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(CCOCc3cccc(F)c3)CC2)s1.
What is the InChIKey of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is GHZHTPXRQSZZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-15-5-6-19(25-15)20(23)22-10-7-16(8-11-22)9-12-24-14-17-3-2-4-18(21)13-17/h2-6,13,16H,7-12,14H2,1H3.
What are the key properties of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(5-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]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 53150626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).