1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile

C11H18N2O — CID 39239237

IUPAC1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
SMILESCC(C)(C)C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(14)13-6-4-9(8-12)5-7-13/h9H,4-7H2,1-3H3
InChIKeyPPJKWQWMIPRAIF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.79
Rot. Bonds

About 1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile

1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile (PubChem CID 39239237) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
PubChem CID39239237
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
SMILESCC(C)(C)C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(14)13-6-4-9(8-12)5-7-13/h9H,4-7H2,1-3H3
InChIKeyPPJKWQWMIPRAIF-UHFFFAOYSA-N
XLogP1.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylbutanoyl)piperidine-4-carbonitrile
CID 62897348
1-(2,2-dimethylpropanoyl)azetidine-3-carbonitrile
CID 89411153
1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
CID 103733367
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile
CID 126750079
1-acetylazepane-4-carbonitrile
CID 143511927
4-cyano-N-methylpiperidine-1-carboxamide
CID 78942309
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
1-butanoylpiperidine-4-carbonitrile
CID 39237347
1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile
CID 129322323
(3S)-3-cyanopyrrolidine-1-carboxylic acid
CID 69136165
2,2-dimethyl-1-(4-nitropiperidin-1-yl)propan-1-one
CID 156884350
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile (CID 39239237) is 1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile is CC(C)(C)C(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile?
The InChIKey is PPJKWQWMIPRAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)10(14)13-6-4-9(8-12)5-7-13/h9H,4-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile?
1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile is sourced from PubChem (CID 39239237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).