1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide

C13H17BrN4O3 — CID 114761611

IUPAC1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)Cn2cccc(Br)c2=O)CC1
InChIInChI=1S/C13H17BrN4O3/c14-10-2-1-5-18(13(10)21)8-11(19)17-6-3-9(4-7-17)12(20)16-15/h1-2,5,9H,3-4,6-8,15H2,(H,16,20)
InChIKeyKNALNZMRHNIWPD-UHFFFAOYSA-N
MW357.21 g/mol
LogP-0.16
Rot. Bonds3

About 1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide

1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide (PubChem CID 114761611) has the molecular formula C13H17BrN4O3 and a molecular weight of 357.21 g/mol. Its IUPAC name is 1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
PubChem CID114761611
Molecular FormulaC13H17BrN4O3
Molecular Weight357.21 g/mol
Exact Mass356.05
IUPAC Name1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)Cn2cccc(Br)c2=O)CC1
InChIInChI=1S/C13H17BrN4O3/c14-10-2-1-5-18(13(10)21)8-11(19)17-6-3-9(4-7-17)12(20)16-15/h1-2,5,9H,3-4,6-8,15H2,(H,16,20)
InChIKeyKNALNZMRHNIWPD-UHFFFAOYSA-N
XLogP-0.16
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
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

1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxamide
CID 45798368
1-[2-(2-Oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
CID 63572420
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide
CID 63573551
1-[2-(2-Methyl-6-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
CID 63577083
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
CID 63577537
1-[2-(3-Methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
CID 63579252
1-[2-(4-Methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
CID 63580019

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide (CID 114761611) is 1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)Cn2cccc(Br)c2=O)CC1.
What is the InChIKey of 1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is KNALNZMRHNIWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O3/c14-10-2-1-5-18(13(10)21)8-11(19)17-6-3-9(4-7-17)12(20)16-15/h1-2,5,9H,3-4,6-8,15H2,(H,16,20).
What are the key properties of 1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide?
1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 357.21 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 114761611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).