2-(3-cyanopiperidin-1-yl)propanehydrazide

C9H16N4O — CID 164653332

IUPAC2-(3-cyanopiperidin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCCC(C#N)C1
InChIInChI=1S/C9H16N4O/c1-7(9(14)12-11)13-4-2-3-8(5-10)6-13/h7-8H,2-4,6,11H2,1H3,(H,12,14)
InChIKeyVCWBWKCCZDEVBR-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.40
Rot. Bonds2

About 2-(3-cyanopiperidin-1-yl)propanehydrazide

2-(3-cyanopiperidin-1-yl)propanehydrazide (PubChem CID 164653332) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-cyanopiperidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3-cyanopiperidin-1-yl)propanehydrazide
PubChem CID164653332
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(3-cyanopiperidin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCCC(C#N)C1
InChIInChI=1S/C9H16N4O/c1-7(9(14)12-11)13-4-2-3-8(5-10)6-13/h7-8H,2-4,6,11H2,1H3,(H,12,14)
InChIKeyVCWBWKCCZDEVBR-UHFFFAOYSA-N
XLogP-0.40
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(2-cyanomorpholin-4-yl)propanehydrazide
CID 79680453
2-[3-(dimethylamino)pyrrolidin-1-yl]propanehydrazide
CID 63584464
2-(3-hydroxy-4-methylpiperidin-1-yl)propanehydrazide
CID 102968624
1-acetylpiperidine-3-carbonitrile;ethane
CID 145255147
2-(3-cyanopiperidin-1-yl)but-3-enoic acid
CID 164650468
propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
CID 130806171
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 79408805
2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide
CID 103540530
2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide
CID 131000958
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide
CID 79409445
2-[3-(2-aminoethyl)piperidin-1-yl]-N-cyclopentylpropanamide
CID 63764074

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanopiperidin-1-yl)propanehydrazide?
The IUPAC name of 2-(3-cyanopiperidin-1-yl)propanehydrazide (CID 164653332) is 2-(3-cyanopiperidin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(3-cyanopiperidin-1-yl)propanehydrazide?
The canonical SMILES for 2-(3-cyanopiperidin-1-yl)propanehydrazide is CC(C(=O)NN)N1CCCC(C#N)C1.
What is the InChIKey of 2-(3-cyanopiperidin-1-yl)propanehydrazide?
The InChIKey is VCWBWKCCZDEVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(9(14)12-11)13-4-2-3-8(5-10)6-13/h7-8H,2-4,6,11H2,1H3,(H,12,14).
What are the key properties of 2-(3-cyanopiperidin-1-yl)propanehydrazide?
2-(3-cyanopiperidin-1-yl)propanehydrazide has a molecular weight of 196.25 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanopiperidin-1-yl)propanehydrazide is sourced from PubChem (CID 164653332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).