4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid

C11H20N2O3 — CID 16788315

IUPAC4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid
SMILESCCCN1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-2-5-12-6-8-13(9-7-12)10(14)3-4-11(15)16/h2-9H2,1H3,(H,15,16)
InChIKeyDMWFDKRIAMGUIO-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.41
Rot. Bonds5

About 4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid

4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid (PubChem CID 16788315) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid
PubChem CID16788315
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid
SMILESCCCN1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-2-5-12-6-8-13(9-7-12)10(14)3-4-11(15)16/h2-9H2,1H3,(H,15,16)
InChIKeyDMWFDKRIAMGUIO-UHFFFAOYSA-N
XLogP0.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid (CID 16788315) is 4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid is CCCN1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid?
The InChIKey is DMWFDKRIAMGUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-5-12-6-8-13(9-7-12)10(14)3-4-11(15)16/h2-9H2,1H3,(H,15,16).
What are the key properties of 4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid?
4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-propylpiperazin-1-yl)butanoic acid is sourced from PubChem (CID 16788315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).