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

C15H24N2O — CID 126750146

IUPAC2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile
SMILESC=CCC(C#N)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H24N2O/c1-5-6-13(11-16)12-7-9-17(10-8-12)14(18)15(2,3)4/h5,12-13H,1,6-10H2,2-4H3
InChIKeyGDRWCBNHZIRAIE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds3

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

2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile (PubChem CID 126750146) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile
PubChem CID126750146
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile
SMILESC=CCC(C#N)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H24N2O/c1-5-6-13(11-16)12-7-9-17(10-8-12)14(18)15(2,3)4/h5,12-13H,1,6-10H2,2-4H3
InChIKeyGDRWCBNHZIRAIE-UHFFFAOYSA-N
XLogP2.99
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile
CID 126750079
1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
CID 39239237
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
CID 89354999
tert-butyl (3S)-3-(1-hydroxybut-3-enyl)pyrrolidine-1-carboxylate
CID 59536652
2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile
CID 126750405
2,2-dimethyl-3-oxo-3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile
CID 112697882
1-(2,2-dimethylpropanoyl)azetidine-3-carbonitrile
CID 89411153
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134472737
2,2-dimethyl-1-[4-(pentan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747722
1-(2,2-dimethylbutanoyl)piperidine-4-carbonitrile
CID 62897348

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile (CID 126750146) is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile is C=CCC(C#N)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile?
The InChIKey is GDRWCBNHZIRAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-6-13(11-16)12-7-9-17(10-8-12)14(18)15(2,3)4/h5,12-13H,1,6-10H2,2-4H3.
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile?
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile has a molecular weight of 248.37 g/mol, XLogP of 2.99, 3 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]pent-4-enenitrile is sourced from PubChem (CID 126750146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).