2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide

C12H22N4O — CID 63341111

IUPAC2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCC(C#N)N1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C12H22N4O/c1-10(9-13)15-5-7-16(8-6-15)11(2)12(17)14(3)4/h10-11H,5-8H2,1-4H3
InChIKeyUQJWMFXIXMKEAK-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.01
Rot. Bonds3

About 2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide

2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide (PubChem CID 63341111) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
PubChem CID63341111
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCC(C#N)N1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C12H22N4O/c1-10(9-13)15-5-7-16(8-6-15)11(2)12(17)14(3)4/h10-11H,5-8H2,1-4H3
InChIKeyUQJWMFXIXMKEAK-UHFFFAOYSA-N
XLogP-0.01
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide (CID 63341111) is 2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide is CC(C#N)N1CCN(C(C)C(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is UQJWMFXIXMKEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(9-13)15-5-7-16(8-6-15)11(2)12(17)14(3)4/h10-11H,5-8H2,1-4H3.
What are the key properties of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide?
2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 238.33 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 63341111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).