2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile

C13H22N2O — CID 55207933

IUPAC2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile
SMILESCCC1CCCN(C(=O)C(C#N)C(C)C)C1
InChIInChI=1S/C13H22N2O/c1-4-11-6-5-7-15(9-11)13(16)12(8-14)10(2)3/h10-12H,4-7,9H2,1-3H3
InChIKeyHXUPJJWSKKJQHI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.43
Rot. Bonds3

About 2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile

2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile (PubChem CID 55207933) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile
PubChem CID55207933
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile
SMILESCCC1CCCN(C(=O)C(C#N)C(C)C)C1
InChIInChI=1S/C13H22N2O/c1-4-11-6-5-7-15(9-11)13(16)12(8-14)10(2)3/h10-12H,4-7,9H2,1-3H3
InChIKeyHXUPJJWSKKJQHI-UHFFFAOYSA-N
XLogP2.43
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)-3-methylbutanenitrile
CID 55164253
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
3-methyl-2-(1,4-oxazepane-4-carbonyl)butanenitrile
CID 62974544
1-[3-(hydroxymethyl)piperidin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107023266
3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile
CID 63516487
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
1-[(3S)-3-ethylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-propan-2-ylpiperidin-1-yl]butan-1-one
CID 156718641
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 96515238
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one
CID 146088793
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile?
The IUPAC name of 2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile (CID 55207933) is 2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile.
What is the SMILES notation for 2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile?
The canonical SMILES for 2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile is CCC1CCCN(C(=O)C(C#N)C(C)C)C1.
What is the InChIKey of 2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile?
The InChIKey is HXUPJJWSKKJQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-11-6-5-7-15(9-11)13(16)12(8-14)10(2)3/h10-12H,4-7,9H2,1-3H3.
What are the key properties of 2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile?
2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile has a molecular weight of 222.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile is sourced from PubChem (CID 55207933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).