(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone

C13H20N4O — CID 62247413

IUPAC(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(NN)nc2)C1
InChIInChI=1S/C13H20N4O/c1-9-5-10(2)8-17(7-9)13(18)11-3-4-12(16-14)15-6-11/h3-4,6,9-10H,5,7-8,14H2,1-2H3,(H,15,16)
InChIKeyNUDPUYHQNUIHPI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.49
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone

(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone (PubChem CID 62247413) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
PubChem CID62247413
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(NN)nc2)C1
InChIInChI=1S/C13H20N4O/c1-9-5-10(2)8-17(7-9)13(18)11-3-4-12(16-14)15-6-11/h3-4,6,9-10H,5,7-8,14H2,1-2H3,(H,15,16)
InChIKeyNUDPUYHQNUIHPI-UHFFFAOYSA-N
XLogP1.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone (CID 62247413) is (3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone is CC1CC(C)CN(C(=O)c2ccc(NN)nc2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone?
The InChIKey is NUDPUYHQNUIHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-5-10(2)8-17(7-9)13(18)11-3-4-12(16-14)15-6-11/h3-4,6,9-10H,5,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone?
(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone is sourced from PubChem (CID 62247413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).