3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile

C11H19N3O — CID 60665962

IUPAC3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile
SMILESCC(=O)N1CCC(NCC(C)C#N)CC1
InChIInChI=1S/C11H19N3O/c1-9(7-12)8-13-11-3-5-14(6-4-11)10(2)15/h9,11,13H,3-6,8H2,1-2H3
InChIKeyCKYBXZMYDGAIHF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.75
Rot. Bonds3

About 3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile

3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile (PubChem CID 60665962) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile
PubChem CID60665962
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile
SMILESCC(=O)N1CCC(NCC(C)C#N)CC1
InChIInChI=1S/C11H19N3O/c1-9(7-12)8-13-11-3-5-14(6-4-11)10(2)15/h9,11,13H,3-6,8H2,1-2H3
InChIKeyCKYBXZMYDGAIHF-UHFFFAOYSA-N
XLogP0.75
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
4-(2-cyanopropylamino)cyclohexane-1-carboxamide
CID 61043742
1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone
CID 60961230
2-[(1-acetylpiperidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113219515
2-[(1-acetylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43224142
N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide
CID 62651694
2-[(1-acetylpiperidin-4-yl)amino]acetic acid
CID 22034312
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
1-[4-[(1-propan-2-ylcyclopropyl)methylamino]piperidin-1-yl]ethanone
CID 103743396
1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
CID 103707935
5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile
CID 113242345
1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 43223288

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile (CID 60665962) is 3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile is CC(=O)N1CCC(NCC(C)C#N)CC1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile?
The InChIKey is CKYBXZMYDGAIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(7-12)8-13-11-3-5-14(6-4-11)10(2)15/h9,11,13H,3-6,8H2,1-2H3.
What are the key properties of 3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile?
3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile has a molecular weight of 209.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 60665962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).