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

C19H21ClFNO2S — CID 53150634

IUPAC(5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C19H21ClFNO2S/c20-18-5-4-17(25-18)19(23)22-9-6-14(7-10-22)8-11-24-13-15-2-1-3-16(21)12-15/h1-5,12,14H,6-11,13H2
InChIKeyGFCZGDYEWHRKAJ-UHFFFAOYSA-N
MW381.90 g/mol
LogP5.00
Rot. Bonds6

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

(5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (PubChem CID 53150634) has the molecular formula C19H21ClFNO2S and a molecular weight of 381.90 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
PubChem CID53150634
Molecular FormulaC19H21ClFNO2S
Molecular Weight381.90 g/mol
Exact Mass381.10
IUPAC Name(5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C19H21ClFNO2S/c20-18-5-4-17(25-18)19(23)22-9-6-14(7-10-22)8-11-24-13-15-2-1-3-16(21)12-15/h1-5,12,14H,6-11,13H2
InChIKeyGFCZGDYEWHRKAJ-UHFFFAOYSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 55.00
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 (5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (CID 53150634) is (5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The InChIKey is GFCZGDYEWHRKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2S/c20-18-5-4-17(25-18)19(23)22-9-6-14(7-10-22)8-11-24-13-15-2-1-3-16(21)12-15/h1-5,12,14H,6-11,13H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 381.90 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53150634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).