2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid

C21H39N5O4 — CID 67653160

IUPAC2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid
SMILESCCCN1CCN(CCCCC2CN(CC(=O)O)CCN2C2CN(C)C(=O)O2)CC1
InChIInChI=1S/C21H39N5O4/c1-3-7-23-9-11-24(12-10-23)8-5-4-6-18-15-25(17-20(27)28)13-14-26(18)19-16-22(2)21(29)30-19/h18-19H,3-17H2,1-2H3,(H,27,28)
InChIKeyMWXSTZLORHPDEE-UHFFFAOYSA-N
MW425.57 g/mol
LogP0.66
Rot. Bonds10

About 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid

2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid (PubChem CID 67653160) has the molecular formula C21H39N5O4 and a molecular weight of 425.57 g/mol. Its IUPAC name is 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid
PubChem CID67653160
Molecular FormulaC21H39N5O4
Molecular Weight425.57 g/mol
Exact Mass425.30
IUPAC Name2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid
SMILESCCCN1CCN(CCCCC2CN(CC(=O)O)CCN2C2CN(C)C(=O)O2)CC1
InChIInChI=1S/C21H39N5O4/c1-3-7-23-9-11-24(12-10-23)8-5-4-6-18-15-25(17-20(27)28)13-14-26(18)19-16-22(2)21(29)30-19/h18-19H,3-17H2,1-2H3,(H,27,28)
InChIKeyMWXSTZLORHPDEE-UHFFFAOYSA-N
XLogP0.66
TPSA79.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic 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 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid (CID 67653160) is 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid is CCCN1CCN(CCCCC2CN(CC(=O)O)CCN2C2CN(C)C(=O)O2)CC1.
What is the InChIKey of 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid?
The InChIKey is MWXSTZLORHPDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5O4/c1-3-7-23-9-11-24(12-10-23)8-5-4-6-18-15-25(17-20(27)28)13-14-26(18)19-16-22(2)21(29)30-19/h18-19H,3-17H2,1-2H3,(H,27,28).
What are the key properties of 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid?
2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid has a molecular weight of 425.57 g/mol, XLogP of 0.66, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-3-[4-(4-propylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 67653160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).