N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

C13H18N6O — CID 43061951

IUPACN-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESN#CCCNC(=O)CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H18N6O/c14-2-1-3-17-13(20)11-18-6-8-19(9-7-18)12-10-15-4-5-16-12/h4-5,10H,1,3,6-9,11H2,(H,17,20)
InChIKeyXPPGMQPTDMFBHF-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.37
Rot. Bonds5

About N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (PubChem CID 43061951) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
PubChem CID43061951
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESN#CCCNC(=O)CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H18N6O/c14-2-1-3-17-13(20)11-18-6-8-19(9-7-18)12-10-15-4-5-16-12/h4-5,10H,1,3,6-9,11H2,(H,17,20)
InChIKeyXPPGMQPTDMFBHF-UHFFFAOYSA-N
XLogP-0.37
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146911
2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 35011271
N-(2-cyanoethyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39012931
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46673146
N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146820
N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167877
N-(5-fluoro-2-methylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167910
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 35011024
N-(5-chloro-2-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146893
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870
N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 42891215

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (CID 43061951) is N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is N#CCCNC(=O)CN1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is XPPGMQPTDMFBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c14-2-1-3-17-13(20)11-18-6-8-19(9-7-18)12-10-15-4-5-16-12/h4-5,10H,1,3,6-9,11H2,(H,17,20).
What are the key properties of N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 274.33 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 43061951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).