3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one

C18H25N3O3S — CID 110803631

IUPAC3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1
InChIInChI=1S/C18H25N3O3S/c1-24-15-5-2-14(3-6-15)4-7-17(22)20-8-10-21(11-9-20)18(23)16-12-25-13-19-16/h2-3,5-6,16,19H,4,7-13H2,1H3
InChIKeyURWRBSIGJHPRSK-UHFFFAOYSA-N
MW363.48 g/mol
LogP0.96
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 110803631) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID110803631
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1
InChIInChI=1S/C18H25N3O3S/c1-24-15-5-2-14(3-6-15)4-7-17(22)20-8-10-21(11-9-20)18(23)16-12-25-13-19-16/h2-3,5-6,16,19H,4,7-13H2,1H3
InChIKeyURWRBSIGJHPRSK-UHFFFAOYSA-N
XLogP0.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)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-(4-methoxyphenyl)-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311328
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 119312341
1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 110799962
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110814535
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(4-methoxyphenyl)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 120626309
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119754727
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
3-(4-methoxyphenyl)-1-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311324
3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 119754722

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one (CID 110803631) is 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is URWRBSIGJHPRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-24-15-5-2-14(3-6-15)4-7-17(22)20-8-10-21(11-9-20)18(23)16-12-25-13-19-16/h2-3,5-6,16,19H,4,7-13H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 363.48 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110803631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).