N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C24H26N4O3S — CID 4791285

IUPACN-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H26N4O3S/c29-21(15-20-23(31)27-24(32-20)28-12-5-2-6-13-28)26-19-11-7-10-18(14-19)22(30)25-16-17-8-3-1-4-9-17/h1,3-4,7-11,14,20H,2,5-6,12-13,15-16H2,(H,25,30)(H,26,29)
InChIKeyUMVNBSBYNXCZPI-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.43
Rot. Bonds6

About N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 4791285) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID4791285
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H26N4O3S/c29-21(15-20-23(31)27-24(32-20)28-12-5-2-6-13-28)26-19-11-7-10-18(14-19)22(30)25-16-17-8-3-1-4-9-17/h1,3-4,7-11,14,20H,2,5-6,12-13,15-16H2,(H,25,30)(H,26,29)
InChIKeyUMVNBSBYNXCZPI-UHFFFAOYSA-N
XLogP3.43
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 4791285) is N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is UMVNBSBYNXCZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c29-21(15-20-23(31)27-24(32-20)28-12-5-2-6-13-28)26-19-11-7-10-18(14-19)22(30)25-16-17-8-3-1-4-9-17/h1,3-4,7-11,14,20H,2,5-6,12-13,15-16H2,(H,25,30)(H,26,29).
What are the key properties of N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 450.56 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 4791285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).