2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide

C11H16N4O2 — CID 47280168

IUPAC2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
SMILESN#CCN1CCN(C(=O)C(=O)NC2CC2)CC1
InChIInChI=1S/C11H16N4O2/c12-3-4-14-5-7-15(8-6-14)11(17)10(16)13-9-1-2-9/h9H,1-2,4-8H2,(H,13,16)
InChIKeyMADGRBRVSRIBKV-UHFFFAOYSA-N
MW236.27 g/mol
LogP-1.07
Rot. Bonds2

About 2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide

2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide (PubChem CID 47280168) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
PubChem CID47280168
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
SMILESN#CCN1CCN(C(=O)C(=O)NC2CC2)CC1
InChIInChI=1S/C11H16N4O2/c12-3-4-14-5-7-15(8-6-14)11(17)10(16)13-9-1-2-9/h9H,1-2,4-8H2,(H,13,16)
InChIKeyMADGRBRVSRIBKV-UHFFFAOYSA-N
XLogP-1.07
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 51081913
1-[1-(cyanomethyl)piperidin-4-yl]-3-methylurea
CID 78948240
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylbutanamide
CID 63626076
2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide
CID 108517344
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile
CID 62648220
2-(azetidin-1-yl)-N-cyclobutyl-2-oxoacetamide
CID 131176582
2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide
CID 108504369
N-cycloheptyl-2-oxo-2-piperidin-1-ylacetamide
CID 2288056
N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide
CID 112690099
2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
CID 108508318
N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208845
N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79673254

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide (CID 47280168) is 2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide is N#CCN1CCN(C(=O)C(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The InChIKey is MADGRBRVSRIBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-3-4-14-5-7-15(8-6-14)11(17)10(16)13-9-1-2-9/h9H,1-2,4-8H2,(H,13,16).
What are the key properties of 2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide has a molecular weight of 236.27 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 47280168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).