3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile

C14H25N3O — CID 54940259

IUPAC3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)CC(=O)N1CCCCC1
InChIInChI=1S/C14H25N3O/c1-13(2)11-16(8-6-7-15)12-14(18)17-9-4-3-5-10-17/h13H,3-6,8-12H2,1-2H3
InChIKeyQMYBNZGHIMYBNV-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.87
Rot. Bonds6

About 3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile

3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile (PubChem CID 54940259) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile
PubChem CID54940259
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)CC(=O)N1CCCCC1
InChIInChI=1S/C14H25N3O/c1-13(2)11-16(8-6-7-15)12-14(18)17-9-4-3-5-10-17/h13H,3-6,8-12H2,1-2H3
InChIKeyQMYBNZGHIMYBNV-UHFFFAOYSA-N
XLogP1.87
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(azepan-1-yl)-2-oxoethyl]-(2,2-dimethylpropyl)amino]propanenitrile
CID 56787441
N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide
CID 54940342
4-(azepan-1-yl)-4-oxobutanenitrile
CID 82111512
2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile
CID 60699941
3-[2-carboxyethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
CID 82327027
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 60696591
2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
CID 60969371
1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 63285337
2-[bis(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60686615
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976
3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile
CID 62052627

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile?
The IUPAC name of 3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile (CID 54940259) is 3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile is CC(C)CN(CCC#N)CC(=O)N1CCCCC1.
What is the InChIKey of 3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile?
The InChIKey is QMYBNZGHIMYBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13(2)11-16(8-6-7-15)12-14(18)17-9-4-3-5-10-17/h13H,3-6,8-12H2,1-2H3.
What are the key properties of 3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile?
3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile has a molecular weight of 251.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile is sourced from PubChem (CID 54940259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).