2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile

C13H22N2O — CID 126750079

IUPAC2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile
SMILESCC(C#N)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H22N2O/c1-10(9-14)11-5-7-15(8-6-11)12(16)13(2,3)4/h10-11H,5-8H2,1-4H3
InChIKeyVXXIVOXGTYJARB-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.43
Rot. Bonds1

About 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile

2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile (PubChem CID 126750079) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile
PubChem CID126750079
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile
SMILESCC(C#N)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H22N2O/c1-10(9-14)11-5-7-15(8-6-11)12(16)13(2,3)4/h10-11H,5-8H2,1-4H3
InChIKeyVXXIVOXGTYJARB-UHFFFAOYSA-N
XLogP2.43
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
CID 39239237
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile
CID 126750146
1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
2,2-dimethyl-3-oxo-3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile
CID 112697882
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
3-(1-cyanoethyl)azetidine-1-carboxylic acid
CID 175336412
2,2-dimethyl-1-[4-(pentan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747722
1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 115653928
2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile
CID 126750405
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 55367299
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134472737

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile (CID 126750079) is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile is CC(C#N)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile?
The InChIKey is VXXIVOXGTYJARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(9-14)11-5-7-15(8-6-11)12(16)13(2,3)4/h10-11H,5-8H2,1-4H3.
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile?
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile has a molecular weight of 222.33 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile is sourced from PubChem (CID 126750079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).