4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid

C16H19N3O5 — CID 156506164

IUPAC4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid
SMILESO=C1CCC(Oc2ccc(N3CCN(C(=O)O)CC3)cc2)C(=O)N1
InChIInChI=1S/C16H19N3O5/c20-14-6-5-13(15(21)17-14)24-12-3-1-11(2-4-12)18-7-9-19(10-8-18)16(22)23/h1-4,13H,5-10H2,(H,22,23)(H,17,20,21)
InChIKeyRQVBJYSHPBGTOZ-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.67
Rot. Bonds3

About 4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid

4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid (PubChem CID 156506164) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid
PubChem CID156506164
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid
SMILESO=C1CCC(Oc2ccc(N3CCN(C(=O)O)CC3)cc2)C(=O)N1
InChIInChI=1S/C16H19N3O5/c20-14-6-5-13(15(21)17-14)24-12-3-1-11(2-4-12)18-7-9-19(10-8-18)16(22)23/h1-4,13H,5-10H2,(H,22,23)(H,17,20,21)
InChIKeyRQVBJYSHPBGTOZ-UHFFFAOYSA-N
XLogP0.67
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic 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-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid (CID 156506164) is 4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid is O=C1CCC(Oc2ccc(N3CCN(C(=O)O)CC3)cc2)C(=O)N1.
What is the InChIKey of 4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid?
The InChIKey is RQVBJYSHPBGTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c20-14-6-5-13(15(21)17-14)24-12-3-1-11(2-4-12)18-7-9-19(10-8-18)16(22)23/h1-4,13H,5-10H2,(H,22,23)(H,17,20,21).
What are the key properties of 4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid?
4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 156506164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).