3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one

C19H29N3O2S — CID 10808722

IUPAC3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1N1CCN(CCCCN2CSC(C)C2=O)CC1
InChIInChI=1S/C19H29N3O2S/c1-16-19(23)22(15-25-16)10-6-5-9-20-11-13-21(14-12-20)17-7-3-4-8-18(17)24-2/h3-4,7-8,16H,5-6,9-15H2,1-2H3
InChIKeyBOYYCGOYSQSWQQ-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.52
Rot. Bonds7

About 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one

3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 10808722) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one
PubChem CID10808722
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1N1CCN(CCCCN2CSC(C)C2=O)CC1
InChIInChI=1S/C19H29N3O2S/c1-16-19(23)22(15-25-16)10-6-5-9-20-11-13-21(14-12-20)17-7-3-4-8-18(17)24-2/h3-4,7-8,16H,5-6,9-15H2,1-2H3
InChIKeyBOYYCGOYSQSWQQ-UHFFFAOYSA-N
XLogP2.52
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-2,5-pyrrolidinedione
CID 3994476
1-Butyl-4-(2-methoxy-phenyl)-piperazine
CID 10354670
1-Ethyl-4-(2-methoxyphenyl)piperazine
CID 10376185
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazole-2(3H)-thione
CID 4572191
1-(2-Methoxyphenyl)-4-methylpiperazine
CID 9859120
3-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,3-benzothiazol-2-one
CID 118713684
3-[7-[4-(2-Methoxyphenyl)piperazin-1-yl]heptyl]-1,3-benzothiazol-2-one
CID 118713688
N-(2-methoxyphenyl)-3-(4-methylpiperazinyl)propanamide
CID 847303

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one (CID 10808722) is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one is COc1ccccc1N1CCN(CCCCN2CSC(C)C2=O)CC1.
What is the InChIKey of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is BOYYCGOYSQSWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-16-19(23)22(15-25-16)10-6-5-9-20-11-13-21(14-12-20)17-7-3-4-8-18(17)24-2/h3-4,7-8,16H,5-6,9-15H2,1-2H3.
What are the key properties of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one?
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 363.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10808722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).