2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide

C16H23N3O2 — CID 89411599

IUPAC2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide
SMILESNN(CCN1CCCCC1)C(=O)c1ccccc1CC=O
InChIInChI=1S/C16H23N3O2/c17-19(12-11-18-9-4-1-5-10-18)16(21)15-7-3-2-6-14(15)8-13-20/h2-3,6-7,13H,1,4-5,8-12,17H2
InChIKeyXZBAPDOBWJFWKT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.23
Rot. Bonds6

About 2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide

2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide (PubChem CID 89411599) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide.

Molecular Properties

Compound Name2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide
PubChem CID89411599
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide
SMILESNN(CCN1CCCCC1)C(=O)c1ccccc1CC=O
InChIInChI=1S/C16H23N3O2/c17-19(12-11-18-9-4-1-5-10-18)16(21)15-7-3-2-6-14(15)8-13-20/h2-3,6-7,13H,1,4-5,8-12,17H2
InChIKeyXZBAPDOBWJFWKT-UHFFFAOYSA-N
XLogP1.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(2-oxoethyl)benzamide
CID 145181093
N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104547877
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
CID 55097569
2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzoic acid
CID 104548782
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604
N,2-diphenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 23882390
1-phenyl-1-(2-piperidin-1-ylethyl)hydrazine
CID 3028753
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 123586173
2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid
CID 115545405

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide?
The IUPAC name of 2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide (CID 89411599) is 2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide.
What is the SMILES notation for 2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide?
The canonical SMILES for 2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide is NN(CCN1CCCCC1)C(=O)c1ccccc1CC=O.
What is the InChIKey of 2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide?
The InChIKey is XZBAPDOBWJFWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-19(12-11-18-9-4-1-5-10-18)16(21)15-7-3-2-6-14(15)8-13-20/h2-3,6-7,13H,1,4-5,8-12,17H2.
What are the key properties of 2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide?
2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide has a molecular weight of 289.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoethyl)-N-(2-piperidin-1-ylethyl)benzohydrazide is sourced from PubChem (CID 89411599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).