3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile

C15H27N3O — CID 102562528

IUPAC3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile
SMILESCCN(CCCC(=O)N1CCCCC1)CC(C)C#N
InChIInChI=1S/C15H27N3O/c1-3-17(13-14(2)12-16)9-7-8-15(19)18-10-5-4-6-11-18/h14H,3-11,13H2,1-2H3
InChIKeyZRAIHXQFYUHPHQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds7

About 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile

3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile (PubChem CID 102562528) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile
PubChem CID102562528
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile
SMILESCCN(CCCC(=O)N1CCCCC1)CC(C)C#N
InChIInChI=1S/C15H27N3O/c1-3-17(13-14(2)12-16)9-7-8-15(19)18-10-5-4-6-11-18/h14H,3-11,13H2,1-2H3
InChIKeyZRAIHXQFYUHPHQ-UHFFFAOYSA-N
XLogP2.26
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile
CID 60699941
N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide
CID 78969862
3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
CID 81105423
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
2-[2-(diethylamino)ethylamino]-4-oxo-4-pyrrolidin-1-ylbutanenitrile
CID 66432333
7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
CID 54988279
3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile
CID 54940259
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile (CID 102562528) is 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile is CCN(CCCC(=O)N1CCCCC1)CC(C)C#N.
What is the InChIKey of 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile?
The InChIKey is ZRAIHXQFYUHPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-17(13-14(2)12-16)9-7-8-15(19)18-10-5-4-6-11-18/h14H,3-11,13H2,1-2H3.
What are the key properties of 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile?
3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile has a molecular weight of 265.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 102562528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).