3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile

C11H19N3O — CID 55208045

IUPAC3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile
SMILESCC(C#N)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C11H19N3O/c1-9(8-12)11(15)14-6-4-10(5-7-14)13(2)3/h9-10H,4-7H2,1-3H3
InChIKeyYLMFHKYPEYRFMF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.70
Rot. Bonds2

About 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile

3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile (PubChem CID 55208045) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile
PubChem CID55208045
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile
SMILESCC(C#N)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C11H19N3O/c1-9(8-12)11(15)14-6-4-10(5-7-14)13(2)3/h9-10H,4-7H2,1-3H3
InChIKeyYLMFHKYPEYRFMF-UHFFFAOYSA-N
XLogP0.70
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanopropanoyl)piperidine-4-carboxamide
CID 55207643
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 43585925
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
2-methyl-3-oxo-3-(4-oxopiperidin-1-yl)propanenitrile
CID 130657533
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76924633
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-sulfanylpropan-1-one
CID 107029351
2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid
CID 43586380
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-3-oxopropanenitrile
CID 78996345
(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 124567680
1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
CID 143677842

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile (CID 55208045) is 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile is CC(C#N)C(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile?
The InChIKey is YLMFHKYPEYRFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(8-12)11(15)14-6-4-10(5-7-14)13(2)3/h9-10H,4-7H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile?
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile has a molecular weight of 209.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile is sourced from PubChem (CID 55208045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).