(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone

C18H20ClNO2S — CID 53150692

IUPAC(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C18H20ClNO2S/c19-17-7-6-16(23-17)18(21)20-11-8-14(9-12-20)10-13-22-15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyNHPJGEWSZQXNHC-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.72
Rot. Bonds5

About (5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone (PubChem CID 53150692) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
PubChem CID53150692
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C18H20ClNO2S/c19-17-7-6-16(23-17)18(21)20-11-8-14(9-12-20)10-13-22-15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyNHPJGEWSZQXNHC-UHFFFAOYSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone (CID 53150692) is (5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCC(CCOc2ccccc2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The InChIKey is NHPJGEWSZQXNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c19-17-7-6-16(23-17)18(21)20-11-8-14(9-12-20)10-13-22-15-4-2-1-3-5-15/h1-7,14H,8-13H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone has a molecular weight of 349.88 g/mol, XLogP of 4.72, 5 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-phenoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).