2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide

C16H25N3O2 — CID 63578943

IUPAC2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
SMILESCCC1CCN(CCOc2ccccc2C(=O)NN)CC1
InChIInChI=1S/C16H25N3O2/c1-2-13-7-9-19(10-8-13)11-12-21-15-6-4-3-5-14(15)16(20)18-17/h3-6,13H,2,7-12,17H2,1H3,(H,18,20)
InChIKeyRUPUZGZSCQCKDD-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.79
Rot. Bonds6

About 2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide

2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide (PubChem CID 63578943) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
PubChem CID63578943
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
SMILESCCC1CCN(CCOc2ccccc2C(=O)NN)CC1
InChIInChI=1S/C16H25N3O2/c1-2-13-7-9-19(10-8-13)11-12-21-15-6-4-3-5-14(15)16(20)18-17/h3-6,13H,2,7-12,17H2,1H3,(H,18,20)
InChIKeyRUPUZGZSCQCKDD-UHFFFAOYSA-N
XLogP1.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
2-[2-(2-methylmorpholin-4-yl)ethoxy]benzohydrazide
CID 63569013
2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide
CID 103358703
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
2-pentoxybenzohydrazide
CID 54793215
2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
CID 80580698
ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
CID 6457402
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide
CID 63605840
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide (CID 63578943) is 2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide is CCC1CCN(CCOc2ccccc2C(=O)NN)CC1.
What is the InChIKey of 2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide?
The InChIKey is RUPUZGZSCQCKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-13-7-9-19(10-8-13)11-12-21-15-6-4-3-5-14(15)16(20)18-17/h3-6,13H,2,7-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide?
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide has a molecular weight of 291.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 63578943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).