4-(1-cyanoethyl)piperazine-1-carboxamide

C8H14N4O — CID 63341285

IUPAC4-(1-cyanoethyl)piperazine-1-carboxamide
SMILESCC(C#N)N1CCN(C(N)=O)CC1
InChIInChI=1S/C8H14N4O/c1-7(6-9)11-2-4-12(5-3-11)8(10)13/h7H,2-5H2,1H3,(H2,10,13)
InChIKeyQMYUVWZLYKYUCK-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.41
Rot. Bonds1

About 4-(1-cyanoethyl)piperazine-1-carboxamide

4-(1-cyanoethyl)piperazine-1-carboxamide (PubChem CID 63341285) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-(1-cyanoethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-cyanoethyl)piperazine-1-carboxamide
PubChem CID63341285
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-(1-cyanoethyl)piperazine-1-carboxamide
SMILESCC(C#N)N1CCN(C(N)=O)CC1
InChIInChI=1S/C8H14N4O/c1-7(6-9)11-2-4-12(5-3-11)8(10)13/h7H,2-5H2,1H3,(H2,10,13)
InChIKeyQMYUVWZLYKYUCK-UHFFFAOYSA-N
XLogP-0.41
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide
CID 63338755
2-methylpropyl 4-(1-cyanoethyl)piperazine-1-carboxylate
CID 63340810
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile
CID 83155007
4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide
CID 55218893
2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile
CID 55218750
2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63341111
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 63337799
2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
CID 107178572
2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
CID 63337328
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile
CID 63337376
2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]propanenitrile
CID 103208256
2-[4-(4-ethylbenzoyl)piperazin-1-yl]propanenitrile
CID 63337287

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanoethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-cyanoethyl)piperazine-1-carboxamide (CID 63341285) is 4-(1-cyanoethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-cyanoethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-cyanoethyl)piperazine-1-carboxamide is CC(C#N)N1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(1-cyanoethyl)piperazine-1-carboxamide?
The InChIKey is QMYUVWZLYKYUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-7(6-9)11-2-4-12(5-3-11)8(10)13/h7H,2-5H2,1H3,(H2,10,13).
What are the key properties of 4-(1-cyanoethyl)piperazine-1-carboxamide?
4-(1-cyanoethyl)piperazine-1-carboxamide has a molecular weight of 182.23 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanoethyl)piperazine-1-carboxamide is sourced from PubChem (CID 63341285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).