2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile

C12H20N2O — CID 65257372

IUPAC2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile
SMILESCC(C)(C#N)CCCN1CCCCC1=O
InChIInChI=1S/C12H20N2O/c1-12(2,10-13)7-5-9-14-8-4-3-6-11(14)15/h3-9H2,1-2H3
InChIKeyGABPDXRFBGBRIV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds4

About 2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile

2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile (PubChem CID 65257372) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile
PubChem CID65257372
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile
SMILESCC(C)(C#N)CCCN1CCCCC1=O
InChIInChI=1S/C12H20N2O/c1-12(2,10-13)7-5-9-14-8-4-3-6-11(14)15/h3-9H2,1-2H3
InChIKeyGABPDXRFBGBRIV-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine,1-(2,2,4,4-tetramethylvaleryl)-
CID 208728
Piperazine, 1-methyl-4-(2,2,4,4-tetramethylvaleryl)-
CID 208729
3-Methyl-6-oxopiperidine-3-carbonitrile
CID 122163268
Trimethylpiperidone
CID 12222905
5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-5-oxopentanenitrile
CID 129349436
(3S)-3-methyl-1-(4,4,4-trifluorobutanoyl)piperidine-3-carbonitrile
CID 164636184
2-[4-Methyl-1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]acetonitrile
CID 132101269
2-[4-Tert-butyl-1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]acetonitrile
CID 137536560
3-[(5S)-5-fluoro-3,3-dimethylpiperidin-1-yl]-3-oxopropanenitrile
CID 147911086
3-[(5R)-5-fluoro-3,3-dimethylpiperidin-1-yl]-3-oxopropanenitrile
CID 156329434
5-(2-Oxopiperidino)valeronitrile
CID 11412726
Dimethyl-2-oxopiperidine-3-carbonitrile
CID 129769183

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile (CID 65257372) is 2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile is CC(C)(C#N)CCCN1CCCCC1=O.
What is the InChIKey of 2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile?
The InChIKey is GABPDXRFBGBRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,10-13)7-5-9-14-8-4-3-6-11(14)15/h3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile?
2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile has a molecular weight of 208.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 65257372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).