3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one

C20H26N2O2S — CID 110664593

IUPAC3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(C(C)c3cccs3)CC2)c1
InChIInChI=1S/C20H26N2O2S/c1-16(19-7-4-14-25-19)21-10-12-22(13-11-21)20(23)9-8-17-5-3-6-18(15-17)24-2/h3-7,14-16H,8-13H2,1-2H3
InChIKeyBUVYVARBOGSWOO-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.59
Rot. Bonds6

About 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one

3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 110664593) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID110664593
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(C(C)c3cccs3)CC2)c1
InChIInChI=1S/C20H26N2O2S/c1-16(19-7-4-14-25-19)21-10-12-22(13-11-21)20(23)9-8-17-5-3-6-18(15-17)24-2/h3-7,14-16H,8-13H2,1-2H3
InChIKeyBUVYVARBOGSWOO-UHFFFAOYSA-N
XLogP3.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-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-(3-methoxyphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709205
3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
CID 110399607
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3-methoxyphenyl)propan-1-one
CID 134051244
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 60556729
4-[3-(3-methoxyphenyl)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32505027
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398756

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one (CID 110664593) is 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one is COc1cccc(CCC(=O)N2CCN(C(C)c3cccs3)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is BUVYVARBOGSWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16(19-7-4-14-25-19)21-10-12-22(13-11-21)20(23)9-8-17-5-3-6-18(15-17)24-2/h3-7,14-16H,8-13H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one?
3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 358.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110664593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).