4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile

C14H22N2O — CID 122675585

IUPAC4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile
SMILESC=C(C)N1CCC(C#N)(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H22N2O/c1-11(2)16-8-6-14(10-15,7-9-16)12(17)13(3,4)5/h1,6-9H2,2-5H3
InChIKeyLZXHOPCEEYLCLQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.74
Rot. Bonds2

About 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile

4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile (PubChem CID 122675585) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile
PubChem CID122675585
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile
SMILESC=C(C)N1CCC(C#N)(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H22N2O/c1-11(2)16-8-6-14(10-15,7-9-16)12(17)13(3,4)5/h1,6-9H2,2-5H3
InChIKeyLZXHOPCEEYLCLQ-UHFFFAOYSA-N
XLogP2.74
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile (CID 122675585) is 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile is C=C(C)N1CCC(C#N)(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile?
The InChIKey is LZXHOPCEEYLCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16-8-6-14(10-15,7-9-16)12(17)13(3,4)5/h1,6-9H2,2-5H3.
What are the key properties of 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile?
4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 122675585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).