2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile

C13H21N3O — CID 83155007

IUPAC2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile
SMILESCC(C(=O)N1CCN(C(C)C#N)CC1)C1CC1
InChIInChI=1S/C13H21N3O/c1-10(9-14)15-5-7-16(8-6-15)13(17)11(2)12-3-4-12/h10-12H,3-8H2,1-2H3
InChIKeyWNBGHHGGFQWJKC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.09
Rot. Bonds3

About 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile

2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile (PubChem CID 83155007) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile
PubChem CID83155007
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile
SMILESCC(C(=O)N1CCN(C(C)C#N)CC1)C1CC1
InChIInChI=1S/C13H21N3O/c1-10(9-14)15-5-7-16(8-6-15)13(17)11(2)12-3-4-12/h10-12H,3-8H2,1-2H3
InChIKeyWNBGHHGGFQWJKC-UHFFFAOYSA-N
XLogP1.09
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile (CID 83155007) is 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile is CC(C(=O)N1CCN(C(C)C#N)CC1)C1CC1.
What is the InChIKey of 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile?
The InChIKey is WNBGHHGGFQWJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(9-14)15-5-7-16(8-6-15)13(17)11(2)12-3-4-12/h10-12H,3-8H2,1-2H3.
What are the key properties of 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile?
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile has a molecular weight of 235.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 83155007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).