3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile

C11H19N3O — CID 58332184

IUPAC3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile
SMILESC[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)C
InChIInChI=1S/C11H19N3O/c1-9-5-7-14(11(15)4-6-12)8-10(9)13(2)3/h9-10H,4-5,7-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyJRMOJXXOQVDRAN-ZJUUUORDSA-N
MW209.29 g/mol
LogP0.70
Rot. Bonds2

About 3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile

3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile (PubChem CID 58332184) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile
PubChem CID58332184
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile
SMILESC[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)C
InChIInChI=1S/C11H19N3O/c1-9-5-7-14(11(15)4-6-12)8-10(9)13(2)3/h9-10H,4-5,7-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyJRMOJXXOQVDRAN-ZJUUUORDSA-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

3-[(3R,4R)-3-[tert-butyl(methyl)amino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
CID 171457642
3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile
CID 104920596
3-[(3R,4R)-3-[(5,6-diaminopyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
CID 67965311
[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]carbamic acid
CID 70922025
3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 75060858
4-[[(4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 166943269
3-[(3R,4R)-3-[6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
CID 67965295
1-(2-cyanoacetyl)pyrrolidine-3-carboxamide
CID 104919327
3-[4-methyl-3-[methyl-(2-oxo-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 91179541
methane;3-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 159108542
3-[3-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
CID 75060862
3-[3-[[7-(4-aminophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
CID 166950468

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile (CID 58332184) is 3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile is C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)C.
What is the InChIKey of 3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is JRMOJXXOQVDRAN-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-5-7-14(11(15)4-6-12)8-10(9)13(2)3/h9-10H,4-5,7-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile?
3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-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-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 58332184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).