4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C24H26N4O3S — CID 3406983

IUPAC4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(Cn1ccc(-c2cccs2)n1)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1
InChIInChI=1S/C24H26N4O3S/c29-23(16-27-13-10-21(25-27)22-7-4-14-32-22)26-11-8-19(9-12-26)28-20(17-31-24(28)30)15-18-5-2-1-3-6-18/h1-7,10,13-14,19-20H,8-9,11-12,15-17H2
InChIKeyYCTDDXNJGSCDPH-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.67
Rot. Bonds6

About 4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3406983) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3406983
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(Cn1ccc(-c2cccs2)n1)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1
InChIInChI=1S/C24H26N4O3S/c29-23(16-27-13-10-21(25-27)22-7-4-14-32-22)26-11-8-19(9-12-26)28-20(17-31-24(28)30)15-18-5-2-1-3-6-18/h1-7,10,13-14,19-20H,8-9,11-12,15-17H2
InChIKeyYCTDDXNJGSCDPH-UHFFFAOYSA-N
XLogP3.67
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3406983) is 4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(Cn1ccc(-c2cccs2)n1)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is YCTDDXNJGSCDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c29-23(16-27-13-10-21(25-27)22-7-4-14-32-22)26-11-8-19(9-12-26)28-20(17-31-24(28)30)15-18-5-2-1-3-6-18/h1-7,10,13-14,19-20H,8-9,11-12,15-17H2.
What are the key properties of 4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 450.56 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3406983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).