1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide

C12H18N6O2 — CID 63568678

IUPAC1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide
SMILESN#CCN(CC#N)CC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C12H18N6O2/c13-3-7-17(8-4-14)9-11(19)18-5-1-10(2-6-18)12(20)16-15/h10H,1-2,5-9,15H2,(H,16,20)
InChIKeyQSISUNXQPIXITD-UHFFFAOYSA-N
MW278.32 g/mol
LogP-1.44
Rot. Bonds5

About 1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide

1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide (PubChem CID 63568678) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide
PubChem CID63568678
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide
SMILESN#CCN(CC#N)CC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C12H18N6O2/c13-3-7-17(8-4-14)9-11(19)18-5-1-10(2-6-18)12(20)16-15/h10H,1-2,5-9,15H2,(H,16,20)
InChIKeyQSISUNXQPIXITD-UHFFFAOYSA-N
XLogP-1.44
TPSA126.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', '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-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide (CID 63568678) is 1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide is N#CCN(CC#N)CC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide?
The InChIKey is QSISUNXQPIXITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c13-3-7-17(8-4-14)9-11(19)18-5-1-10(2-6-18)12(20)16-15/h10H,1-2,5-9,15H2,(H,16,20).
What are the key properties of 1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide?
1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide has a molecular weight of 278.32 g/mol, XLogP of -1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63568678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).