4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid

C11H19NO4 — CID 175797428

IUPAC4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
SMILESO=C(O)CCC(=O)OCCC1CCNCC1
InChIInChI=1S/C11H19NO4/c13-10(14)1-2-11(15)16-8-5-9-3-6-12-7-4-9/h9,12H,1-8H2,(H,13,14)
InChIKeyQDWBRLZLDDFKSB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds6

About 4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid

4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid (PubChem CID 175797428) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
PubChem CID175797428
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
SMILESO=C(O)CCC(=O)OCCC1CCNCC1
InChIInChI=1S/C11H19NO4/c13-10(14)1-2-11(15)16-8-5-9-3-6-12-7-4-9/h9,12H,1-8H2,(H,13,14)
InChIKeyQDWBRLZLDDFKSB-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-4-(2-piperidin-4-ylethoxy)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

Related Compounds

2-piperidin-4-ylethyl butanoate
CID 174737441
2-piperidin-4-ylethyl propanoate
CID 53408774
2-cyclobutylethyl 3-piperidin-4-yloxypropanoate
CID 106203080
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
6-piperidin-4-ylhexanoic acid;hydrochloride
CID 175496975
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride
CID 131858012
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 54603666
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
4-(2-bromoethoxy)-4-oxobutanoic acid
CID 3289614
2-aminoethyl 3-cyclopropylpropanoate
CID 174465831

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid?
The IUPAC name of 4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid (CID 175797428) is 4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid?
The canonical SMILES for 4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid is O=C(O)CCC(=O)OCCC1CCNCC1.
What is the InChIKey of 4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid?
The InChIKey is QDWBRLZLDDFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-10(14)1-2-11(15)16-8-5-9-3-6-12-7-4-9/h9,12H,1-8H2,(H,13,14).
What are the key properties of 4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid?
4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid is sourced from PubChem (CID 175797428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).