4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid

C20H28N2O4 — CID 118740169

IUPAC4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid
SMILESCC1(C2CCN(CCCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C20H28N2O4/c1-20(17-9-12-21(13-10-17)11-5-8-18(23)24)15-22(19(25)26-20)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,23,24)
InChIKeyPGEYXEWWULQRQB-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.97
Rot. Bonds7

About 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid

4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid (PubChem CID 118740169) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid
PubChem CID118740169
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid
SMILESCC1(C2CCN(CCCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C20H28N2O4/c1-20(17-9-12-21(13-10-17)11-5-8-18(23)24)15-22(19(25)26-20)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,23,24)
InChIKeyPGEYXEWWULQRQB-UHFFFAOYSA-N
XLogP2.97
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid (CID 118740169) is 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid is CC1(C2CCN(CCCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid?
The InChIKey is PGEYXEWWULQRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-20(17-9-12-21(13-10-17)11-5-8-18(23)24)15-22(19(25)26-20)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,23,24).
What are the key properties of 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid?
4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid has a molecular weight of 360.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 118740169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).