3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione

C22H33N5O6 — CID 177052102

IUPAC3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione
SMILESNCCOCC(/C=N/CCOCCOCCOc1cccc(C2CCC(=O)NC2=O)c1)=N/N
InChIInChI=1S/C22H33N5O6/c23-6-8-32-16-18(27-24)15-25-7-9-30-10-11-31-12-13-33-19-3-1-2-17(14-19)20-4-5-21(28)26-22(20)29/h1-3,14-15,20H,4-13,16,23-24H2,(H,26,28,29)/b25-15+,27-18+
InChIKeyMTQYORSUOOMMOH-ROBUNQHXSA-N
MW463.54 g/mol
LogP-0.02
Rot. Bonds16

About 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione

3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione (PubChem CID 177052102) has the molecular formula C22H33N5O6 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione
PubChem CID177052102
Molecular FormulaC22H33N5O6
Molecular Weight463.54 g/mol
Exact Mass463.24
IUPAC Name3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione
SMILESNCCOCC(/C=N/CCOCCOCCOc1cccc(C2CCC(=O)NC2=O)c1)=N/N
InChIInChI=1S/C22H33N5O6/c23-6-8-32-16-18(27-24)15-25-7-9-30-10-11-31-12-13-33-19-3-1-2-17(14-19)20-4-5-21(28)26-22(20)29/h1-3,14-15,20H,4-13,16,23-24H2,(H,26,28,29)/b25-15+,27-18+
InChIKeyMTQYORSUOOMMOH-ROBUNQHXSA-N
XLogP-0.02
TPSA159.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione 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 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione (CID 177052102) is 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione is NCCOCC(/C=N/CCOCCOCCOc1cccc(C2CCC(=O)NC2=O)c1)=N/N.
What is the InChIKey of 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione?
The InChIKey is MTQYORSUOOMMOH-ROBUNQHXSA-N. The full InChI is InChI=1S/C22H33N5O6/c23-6-8-32-16-18(27-24)15-25-7-9-30-10-11-31-12-13-33-19-3-1-2-17(14-19)20-4-5-21(28)26-22(20)29/h1-3,14-15,20H,4-13,16,23-24H2,(H,26,28,29)/b25-15+,27-18+.
What are the key properties of 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione?
3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione has a molecular weight of 463.54 g/mol, XLogP of -0.02, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[2-[2-[[(2E)-3-(2-aminoethoxy)-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 177052102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).