3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one

C19H23NO2S — CID 71786981

IUPAC3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCC(c3ccsc3)CC2)cc1
InChIInChI=1S/C19H23NO2S/c1-22-18-5-2-15(3-6-18)4-7-19(21)20-11-8-16(9-12-20)17-10-13-23-14-17/h2-3,5-6,10,13-14,16H,4,7-9,11-12H2,1H3
InChIKeyKFZCCSPCTXEXBT-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.10
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one

3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one (PubChem CID 71786981) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
PubChem CID71786981
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCC(c3ccsc3)CC2)cc1
InChIInChI=1S/C19H23NO2S/c1-22-18-5-2-15(3-6-18)4-7-19(21)20-11-8-16(9-12-20)17-10-13-23-14-17/h2-3,5-6,10,13-14,16H,4,7-9,11-12H2,1H3
InChIKeyKFZCCSPCTXEXBT-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one (CID 71786981) is 3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one is COc1ccc(CCC(=O)N2CCC(c3ccsc3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The InChIKey is KFZCCSPCTXEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-22-18-5-2-15(3-6-18)4-7-19(21)20-11-8-16(9-12-20)17-10-13-23-14-17/h2-3,5-6,10,13-14,16H,4,7-9,11-12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one has a molecular weight of 329.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 71786981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).