1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide

C23H25N3O3S — CID 23939297

IUPAC1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)CC1
InChIInChI=1S/C23H25N3O3S/c24-21(28)17-10-12-25(13-11-17)22(29)18-6-8-19(9-7-18)23-26(20(27)15-30-23)14-16-4-2-1-3-5-16/h1-9,17,23H,10-15H2,(H2,24,28)
InChIKeyCPRZSPJHALNCDN-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.80
Rot. Bonds5

About 1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide

1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 23939297) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
PubChem CID23939297
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)CC1
InChIInChI=1S/C23H25N3O3S/c24-21(28)17-10-12-25(13-11-17)22(29)18-6-8-19(9-7-18)23-26(20(27)15-30-23)14-16-4-2-1-3-5-16/h1-9,17,23H,10-15H2,(H2,24,28)
InChIKeyCPRZSPJHALNCDN-UHFFFAOYSA-N
XLogP2.80
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 4256729
(2R)-2-[4-(morpholine-4-carbonyl)phenyl]-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 1209526
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopentylbenzamide
CID 40560076
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 133203275
(2R)-3-(furan-2-ylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 124550291
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 46772568
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopentyl-N-methylbenzamide
CID 93486528
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 1142986
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100561810
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 1280635
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100500311

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide (CID 23939297) is 1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is CPRZSPJHALNCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c24-21(28)17-10-12-25(13-11-17)22(29)18-6-8-19(9-7-18)23-26(20(27)15-30-23)14-16-4-2-1-3-5-16/h1-9,17,23H,10-15H2,(H2,24,28).
What are the key properties of 1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 23939297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).