N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide

C10H16N4O2 — CID 82509684

IUPACN-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide
SMILESCN(CCC#N)C(=O)C(=O)N1CCNCC1
InChIInChI=1S/C10H16N4O2/c1-13(6-2-3-11)9(15)10(16)14-7-4-12-5-8-14/h12H,2,4-8H2,1H3
InChIKeyPJAUQARVYLDZRI-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.21
Rot. Bonds2

About N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide

N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 82509684) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide
PubChem CID82509684
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide
SMILESCN(CCC#N)C(=O)C(=O)N1CCNCC1
InChIInChI=1S/C10H16N4O2/c1-13(6-2-3-11)9(15)10(16)14-7-4-12-5-8-14/h12H,2,4-8H2,1H3
InChIKeyPJAUQARVYLDZRI-UHFFFAOYSA-N
XLogP-1.21
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
2,3-Piperazinedione, 1-butyl-
CID 200627
2,3-Piperazinedione, 1-propyl-
CID 3042434
N-butyl-2-piperazin-1-yl-N-propylacetamide
CID 49853676
Oxamide, N-methyl-N'-[2-(4-piperazinyl)ethyl]-
CID 567248
N,N-diethyl-2-(piperazin-1-yl)acetamide
CID 7131630
2-(Dimethylamino)-1-(piperazin-1-yl)ethan-1-one
CID 16770302
2-(Diethylamino)-1-(piperazin-1-yl)ethan-1-one
CID 16770303
1-(2-Methylpropyl)piperazin-2-one
CID 20099268
1-(2-(Dimethylamino)ethyl)piperazin-2-one
CID 58002045
N-tert-butyl-2-[4-(2-cyanoethyl)piperazin-1-yl]acetamide
CID 8890897
N-isobutyl-2-piperazin-1-ylacetamide
CID 8902198

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide (CID 82509684) is N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide is CN(CCC#N)C(=O)C(=O)N1CCNCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is PJAUQARVYLDZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13(6-2-3-11)9(15)10(16)14-7-4-12-5-8-14/h12H,2,4-8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide?
N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 224.26 g/mol, XLogP of -1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 82509684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).