3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide

C14H16BrN3O3 — CID 7767931

IUPAC3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Br)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H16BrN3O3/c15-11-6-4-5-10(9-11)12(19)16-17-13(20)14(21)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8H2,(H,16,19)(H,17,20)
InChIKeyNUOBYZPDBSUVHO-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.22
Rot. Bonds1

About 3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide

3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide (PubChem CID 7767931) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
PubChem CID7767931
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Br)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H16BrN3O3/c15-11-6-4-5-10(9-11)12(19)16-17-13(20)14(21)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8H2,(H,16,19)(H,17,20)
InChIKeyNUOBYZPDBSUVHO-UHFFFAOYSA-N
XLogP1.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
CID 2213249
1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
CID 3693189
2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
CID 3108510
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
N'-(2-oxo-2-piperidin-1-ylacetyl)furan-2-carbohydrazide
CID 2263224
3-bromo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 54791692
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide
CID 17386597
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
3-bromo-N-[1-(3-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 2921601
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The IUPAC name of 3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide (CID 7767931) is 3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The canonical SMILES for 3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide is O=C(NNC(=O)c1cccc(Br)c1)C(=O)N1CCCCC1.
What is the InChIKey of 3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The InChIKey is NUOBYZPDBSUVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c15-11-6-4-5-10(9-11)12(19)16-17-13(20)14(21)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8H2,(H,16,19)(H,17,20).
What are the key properties of 3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide has a molecular weight of 354.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 7767931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).