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

C13H18N4O3 — CID 63577987

IUPAC1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)Cn2ccc(=O)cc2)CC1
InChIInChI=1S/C13H18N4O3/c14-15-13(20)10-1-7-17(8-2-10)12(19)9-16-5-3-11(18)4-6-16/h3-6,10H,1-2,7-9,14H2,(H,15,20)
InChIKeyJMKNORCSTRBGHD-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.92
Rot. Bonds3

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

1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide (PubChem CID 63577987) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
PubChem CID63577987
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)Cn2ccc(=O)cc2)CC1
InChIInChI=1S/C13H18N4O3/c14-15-13(20)10-1-7-17(8-2-10)12(19)9-16-5-3-11(18)4-6-16/h3-6,10H,1-2,7-9,14H2,(H,15,20)
InChIKeyJMKNORCSTRBGHD-UHFFFAOYSA-N
XLogP-0.92
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.92
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide (CID 63577987) is 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)Cn2ccc(=O)cc2)CC1.
What is the InChIKey of 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is JMKNORCSTRBGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-15-13(20)10-1-7-17(8-2-10)12(19)9-16-5-3-11(18)4-6-16/h3-6,10H,1-2,7-9,14H2,(H,15,20).
What are the key properties of 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide?
1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 278.31 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63577987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).