2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide

C14H20N4O3 — CID 63605840

IUPAC2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide
SMILESCC1C(=O)NCCN1CCOc1ccccc1C(=O)NN
InChIInChI=1S/C14H20N4O3/c1-10-13(19)16-6-7-18(10)8-9-21-12-5-3-2-4-11(12)14(20)17-15/h2-5,10H,6-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyQPTBJQUPVXLRJH-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.51
Rot. Bonds5

About 2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide

2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide (PubChem CID 63605840) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide
PubChem CID63605840
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide
SMILESCC1C(=O)NCCN1CCOc1ccccc1C(=O)NN
InChIInChI=1S/C14H20N4O3/c1-10-13(19)16-6-7-18(10)8-9-21-12-5-3-2-4-11(12)14(20)17-15/h2-5,10H,6-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyQPTBJQUPVXLRJH-UHFFFAOYSA-N
XLogP-0.51
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
2-[2-(2-methylmorpholin-4-yl)ethoxy]benzohydrazide
CID 63569013
2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide
CID 103358703
methyl 2-[(2-methyl-3-oxopiperazin-1-yl)methyl]benzoate
CID 82969734
2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide
CID 63607560
(3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one
CID 99930715
2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
CID 80580698
2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
CID 80582813
4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one
CID 63595747
(3R)-4-[2-(2-acetylphenoxy)ethyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 51642928
propyl 2-[1-[[2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17355988
3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one
CID 63606558

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide (CID 63605840) is 2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide is CC1C(=O)NCCN1CCOc1ccccc1C(=O)NN.
What is the InChIKey of 2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide?
The InChIKey is QPTBJQUPVXLRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-13(19)16-6-7-18(10)8-9-21-12-5-3-2-4-11(12)14(20)17-15/h2-5,10H,6-9,15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide?
2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide has a molecular weight of 292.34 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 63605840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).