3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one

C20H25NO4S — CID 71509434

IUPAC3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one
SMILESCOc1cc(O)c(C(CC(=O)N2CCCCC2)c2cccs2)c(OC)c1
InChIInChI=1S/C20H25NO4S/c1-24-14-11-16(22)20(17(12-14)25-2)15(18-7-6-10-26-18)13-19(23)21-8-4-3-5-9-21/h6-7,10-12,15,22H,3-5,8-9,13H2,1-2H3
InChIKeyNOMIWGUGTSFETF-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.01
Rot. Bonds6

About 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one

3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one (PubChem CID 71509434) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one
PubChem CID71509434
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one
SMILESCOc1cc(O)c(C(CC(=O)N2CCCCC2)c2cccs2)c(OC)c1
InChIInChI=1S/C20H25NO4S/c1-24-14-11-16(22)20(17(12-14)25-2)15(18-7-6-10-26-18)13-19(23)21-8-4-3-5-9-21/h6-7,10-12,15,22H,3-5,8-9,13H2,1-2H3
InChIKeyNOMIWGUGTSFETF-UHFFFAOYSA-N
XLogP4.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 16746340
3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 16746429
4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid
CID 82134004
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 71540858
4-[1-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzoic acid
CID 71510549
1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-methylphenyl)propan-1-one
CID 122691603
3-(1,3-benzothiazol-2-yl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 71509570
4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxopropyl]benzenesulfonic acid
CID 71510419
1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
CID 53390269
4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxopropyl]benzamide
CID 71510421
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 46943394
3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol
CID 16746303

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one (CID 71509434) is 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one is COc1cc(O)c(C(CC(=O)N2CCCCC2)c2cccs2)c(OC)c1.
What is the InChIKey of 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one?
The InChIKey is NOMIWGUGTSFETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-24-14-11-16(22)20(17(12-14)25-2)15(18-7-6-10-26-18)13-19(23)21-8-4-3-5-9-21/h6-7,10-12,15,22H,3-5,8-9,13H2,1-2H3.
What are the key properties of 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one?
3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one has a molecular weight of 375.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 71509434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).