3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one

C19H24N2O2S — CID 10807421

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one
SMILESCOc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8H,9-14H2,1-2H3
InChIKeyGKFAMQWFMFWCRS-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.46
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one (PubChem CID 10807421) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one
PubChem CID10807421
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one
SMILESCOc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8H,9-14H2,1-2H3
InChIKeyGKFAMQWFMFWCRS-UHFFFAOYSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one (CID 10807421) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one is COc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one?
The InChIKey is GKFAMQWFMFWCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8H,9-14H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one has a molecular weight of 344.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 10807421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).