N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide

C26H33N3O3S — CID 42749237

IUPACN-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)NC2CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H33N3O3S/c1-3-24-29(26(31)20-9-11-22(32-2)12-10-20)23(18-33-24)25(30)27-21-13-15-28(16-14-21)17-19-7-5-4-6-8-19/h4-12,21,23-24H,3,13-18H2,1-2H3,(H,27,30)
InChIKeyLYSZTQXHVASTDY-UHFFFAOYSA-N
MW467.64 g/mol
LogP3.77
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42749237) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42749237
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)NC2CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H33N3O3S/c1-3-24-29(26(31)20-9-11-22(32-2)12-10-20)23(18-33-24)25(30)27-21-13-15-28(16-14-21)17-19-7-5-4-6-8-19/h4-12,21,23-24H,3,13-18H2,1-2H3,(H,27,30)
InChIKeyLYSZTQXHVASTDY-UHFFFAOYSA-N
XLogP3.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749276
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-3-(4-chlorobenzoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 3907010
N-(1-benzylpiperidin-4-yl)-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 4637317
N-(1-benzylpiperidin-4-yl)-2-(4-tert-butylphenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3439892
N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745135
N-(1-benzylpiperidin-4-yl)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3591486
2-ethyl-N-(furan-2-ylmethyl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749230
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
N-(1-benzylpiperidin-4-yl)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 42696104
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42749237) is N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide is CCC1SCC(C(=O)NC2CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is LYSZTQXHVASTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-3-24-29(26(31)20-9-11-22(32-2)12-10-20)23(18-33-24)25(30)27-21-13-15-28(16-14-21)17-19-7-5-4-6-8-19/h4-12,21,23-24H,3,13-18H2,1-2H3,(H,27,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42749237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).