4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide

C23H28N4O2S — CID 10224216

IUPAC4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide
SMILESNC(C(=O)N1CCSC1)C1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2S/c24-21(22(28)27-14-15-30-16-27)18-10-12-26(13-11-18)23(29)25-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-9,18,21H,10-16,24H2,(H,25,29)
InChIKeyVOSSQAHOAGPLCS-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.46
Rot. Bonds4

About 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide

4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide (PubChem CID 10224216) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide
PubChem CID10224216
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide
SMILESNC(C(=O)N1CCSC1)C1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2S/c24-21(22(28)27-14-15-30-16-27)18-10-12-26(13-11-18)23(29)25-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-9,18,21H,10-16,24H2,(H,25,29)
InChIKeyVOSSQAHOAGPLCS-UHFFFAOYSA-N
XLogP3.46
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide (CID 10224216) is 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide is NC(C(=O)N1CCSC1)C1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is VOSSQAHOAGPLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c24-21(22(28)27-14-15-30-16-27)18-10-12-26(13-11-18)23(29)25-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-9,18,21H,10-16,24H2,(H,25,29).
What are the key properties of 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide?
4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 10224216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).