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

C20H31N3O2S — CID 10595767

IUPAC3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1N1CCN(CCCCN2CSC(C)(C)C2=O)CC1
InChIInChI=1S/C20H31N3O2S/c1-20(2)19(24)23(16-26-20)11-7-6-10-21-12-14-22(15-13-21)17-8-4-5-9-18(17)25-3/h4-5,8-9H,6-7,10-16H2,1-3H3
InChIKeyVDVCCROWWDIMIS-UHFFFAOYSA-N
MW377.55 g/mol
LogP2.91
Rot. Bonds7

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

3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one (PubChem CID 10595767) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one
PubChem CID10595767
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1N1CCN(CCCCN2CSC(C)(C)C2=O)CC1
InChIInChI=1S/C20H31N3O2S/c1-20(2)19(24)23(16-26-20)11-7-6-10-21-12-14-22(15-13-21)17-8-4-5-9-18(17)25-3/h4-5,8-9H,6-7,10-16H2,1-3H3
InChIKeyVDVCCROWWDIMIS-UHFFFAOYSA-N
XLogP2.91
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.91
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]-5,5-dimethyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one (CID 10595767) is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one is COc1ccccc1N1CCN(CCCCN2CSC(C)(C)C2=O)CC1.
What is the InChIKey of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one?
The InChIKey is VDVCCROWWDIMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-20(2)19(24)23(16-26-20)11-7-6-10-21-12-14-22(15-13-21)17-8-4-5-9-18(17)25-3/h4-5,8-9H,6-7,10-16H2,1-3H3.
What are the key properties of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one?
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5,5-dimethyl-1,3-thiazolidin-4-one has a molecular weight of 377.55 g/mol, XLogP of 2.91, 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]-5,5-dimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10595767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).