5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile

C11H18N2O — CID 176833615

IUPAC5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile
SMILESCC(C)(C)C(=O)C1CNCC(C#N)C1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(14)9-4-8(5-12)6-13-7-9/h8-9,13H,4,6-7H2,1-3H3
InChIKeyFWSOVQJOCBUBBT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.35
Rot. Bonds1

About 5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile

5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile (PubChem CID 176833615) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile
PubChem CID176833615
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile
SMILESCC(C)(C)C(=O)C1CNCC(C#N)C1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(14)9-4-8(5-12)6-13-7-9/h8-9,13H,4,6-7H2,1-3H3
InChIKeyFWSOVQJOCBUBBT-UHFFFAOYSA-N
XLogP1.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)azetidine-3-carbonitrile
CID 89411153
5-methoxypiperidine-3-carbonitrile
CID 123182758
tert-butyl 4-cyanopyrrolidine-2-carboxylate
CID 131739554
1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 153429546
5-cyanopiperidine-3-sulfinamide
CID 134532007
N-(3-cyano-1-oxothietan-1-ylidene)-2,2-dimethylpropanamide
CID 168788118
1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116917647
3-cyanocyclobutane-1-carboxamide
CID 168932010
methyl 3-cyanocyclobutane-1-carboxylate
CID 73425273
N-(5-cyanopiperidin-3-yl)formamide
CID 129073915
cis-(1R,3S)-N-tert-butyl-3-cyanocyclohexane-1-carboxamide
CID 130284939
3-acetylcyclohexane-1-carbonitrile
CID 118513837

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile?
The IUPAC name of 5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile (CID 176833615) is 5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile is CC(C)(C)C(=O)C1CNCC(C#N)C1.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile?
The InChIKey is FWSOVQJOCBUBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)10(14)9-4-8(5-12)6-13-7-9/h8-9,13H,4,6-7H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile?
5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile is sourced from PubChem (CID 176833615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).