N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide

C15H18ClN3O4 — CID 2218320

IUPACN'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C15H18ClN3O4/c16-11-4-6-12(7-5-11)23-10-13(20)17-18-14(21)15(22)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,17,20)(H,18,21)
InChIKeySSTIVEHCLRWTIX-UHFFFAOYSA-N
MW339.78 g/mol
LogP0.88
Rot. Bonds3

About N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide

N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide (PubChem CID 2218320) has the molecular formula C15H18ClN3O4 and a molecular weight of 339.78 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide
PubChem CID2218320
Molecular FormulaC15H18ClN3O4
Molecular Weight339.78 g/mol
Exact Mass339.10
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C15H18ClN3O4/c16-11-4-6-12(7-5-11)23-10-13(20)17-18-14(21)15(22)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,17,20)(H,18,21)
InChIKeySSTIVEHCLRWTIX-UHFFFAOYSA-N
XLogP0.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide (CID 2218320) is N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)N1CCCCC1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide?
The InChIKey is SSTIVEHCLRWTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4/c16-11-4-6-12(7-5-11)23-10-13(20)17-18-14(21)15(22)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide?
N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide has a molecular weight of 339.78 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)acetyl]-2-oxo-2-piperidin-1-ylacetohydrazide is sourced from PubChem (CID 2218320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).