2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile

C13H22N4O — CID 112723615

IUPAC2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile
SMILESCC(C)(C#N)N1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H22N4O/c1-13(2,11-14)17-9-7-16(8-10-17)12(18)15-5-3-4-6-15/h3-10H2,1-2H3
InChIKeyVXUYDCFTBVUSNB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds1

About 2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile

2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile (PubChem CID 112723615) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile
PubChem CID112723615
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile
SMILESCC(C)(C#N)N1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H22N4O/c1-13(2,11-14)17-9-7-16(8-10-17)12(18)15-5-3-4-6-15/h3-10H2,1-2H3
InChIKeyVXUYDCFTBVUSNB-UHFFFAOYSA-N
XLogP1.12
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclooctanecarbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 65018811
azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
CID 116654564
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60692896
4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 79161762
4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide
CID 60681900
2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile
CID 65156463
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile
CID 60693018
2-[4-(3,4-dihydroxybenzoyl)piperazin-1-yl]-2-methylpropanenitrile
CID 107728338
1-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]ethanone
CID 170992967
2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene
CID 144507445
2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanenitrile
CID 60692955
2-[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-methylpropanenitrile
CID 81265400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile (CID 112723615) is 2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile is CC(C)(C#N)N1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile?
The InChIKey is VXUYDCFTBVUSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,11-14)17-9-7-16(8-10-17)12(18)15-5-3-4-6-15/h3-10H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile?
2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile has a molecular weight of 250.35 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 112723615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).