1-(2-azidoacetyl)piperidine-4-carbohydrazide

C8H14N6O2 — CID 115465829

IUPAC1-(2-azidoacetyl)piperidine-4-carbohydrazide
SMILES[N-]=[N+]=NCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C8H14N6O2/c9-12-8(16)6-1-3-14(4-2-6)7(15)5-11-13-10/h6H,1-5,9H2,(H,12,16)
InChIKeyDUVLOEIGRAWRHD-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.47
Rot. Bonds3

About 1-(2-azidoacetyl)piperidine-4-carbohydrazide

1-(2-azidoacetyl)piperidine-4-carbohydrazide (PubChem CID 115465829) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(2-azidoacetyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-azidoacetyl)piperidine-4-carbohydrazide
PubChem CID115465829
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name1-(2-azidoacetyl)piperidine-4-carbohydrazide
SMILES[N-]=[N+]=NCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C8H14N6O2/c9-12-8(16)6-1-3-14(4-2-6)7(15)5-11-13-10/h6H,1-5,9H2,(H,12,16)
InChIKeyDUVLOEIGRAWRHD-UHFFFAOYSA-N
XLogP-0.47
TPSA124.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2-azido-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 129498132
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578248
1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide
CID 63588699
1-(2-morpholin-4-ylacetyl)piperidine-4-carbohydrazide
CID 63570302
2-azido-1-(3-hydroxypiperidin-1-yl)ethanone
CID 121201262
1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66218506
2-[[2-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 63574037
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66128765
1-(2-hydrazinyl-2-oxoethyl)piperidine-4-carbohydrazide
CID 3282644

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoacetyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2-azidoacetyl)piperidine-4-carbohydrazide (CID 115465829) is 1-(2-azidoacetyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2-azidoacetyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2-azidoacetyl)piperidine-4-carbohydrazide is [N-]=[N+]=NCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-(2-azidoacetyl)piperidine-4-carbohydrazide?
The InChIKey is DUVLOEIGRAWRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c9-12-8(16)6-1-3-14(4-2-6)7(15)5-11-13-10/h6H,1-5,9H2,(H,12,16).
What are the key properties of 1-(2-azidoacetyl)piperidine-4-carbohydrazide?
1-(2-azidoacetyl)piperidine-4-carbohydrazide has a molecular weight of 226.24 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoacetyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 115465829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).