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

C22H35N3O2S — CID 10525345

IUPAC3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1
InChIInChI=1S/C22H35N3O2S/c1-21(2)20(26)25(22(3,4)28-21)13-9-8-12-23-14-16-24(17-15-23)18-10-6-7-11-19(18)27-5/h6-7,10-11H,8-9,12-17H2,1-5H3
InChIKeyNCRXJBDPIYXLQR-UHFFFAOYSA-N
MW405.61 g/mol
LogP3.69
Rot. Bonds7

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

3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one (PubChem CID 10525345) has the molecular formula C22H35N3O2S and a molecular weight of 405.61 g/mol. Its IUPAC name is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one
PubChem CID10525345
Molecular FormulaC22H35N3O2S
Molecular Weight405.61 g/mol
Exact Mass405.24
IUPAC Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1
InChIInChI=1S/C22H35N3O2S/c1-21(2)20(26)25(22(3,4)28-21)13-9-8-12-23-14-16-24(17-15-23)18-10-6-7-11-19(18)27-5/h6-7,10-11H,8-9,12-17H2,1-5H3
InChIKeyNCRXJBDPIYXLQR-UHFFFAOYSA-N
XLogP3.69
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.61
LogP ≤ 53.69
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-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-2,5-pyrrolidinedione
CID 3994476
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
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-benzoxazol-2-one
CID 118713687
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
1-(3,3-Dimethylbutanoyl)-4-(2-ethoxyphenyl)piperazine
CID 1246194
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 4464614
1-(2-Ethoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 6459126

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one (CID 10525345) is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one is COc1ccccc1N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1.
What is the InChIKey of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one?
The InChIKey is NCRXJBDPIYXLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2S/c1-21(2)20(26)25(22(3,4)28-21)13-9-8-12-23-14-16-24(17-15-23)18-10-6-7-11-19(18)27-5/h6-7,10-11H,8-9,12-17H2,1-5H3.
What are the key properties of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one?
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one has a molecular weight of 405.61 g/mol, XLogP of 3.69, 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]-2,2,5,5-tetramethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10525345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).