2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile

C15H21N3O — CID 82147177

IUPAC2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(=O)n1CC1CCNCC1
InChIInChI=1S/C15H21N3O/c1-11(2)14-4-3-13(9-16)15(19)18(14)10-12-5-7-17-8-6-12/h3-4,11-12,17H,5-8,10H2,1-2H3
InChIKeyAKRDNYUMYNEBRU-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.84
Rot. Bonds3

About 2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile

2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 82147177) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID82147177
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(=O)n1CC1CCNCC1
InChIInChI=1S/C15H21N3O/c1-11(2)14-4-3-13(9-16)15(19)18(14)10-12-5-7-17-8-6-12/h3-4,11-12,17H,5-8,10H2,1-2H3
InChIKeyAKRDNYUMYNEBRU-UHFFFAOYSA-N
XLogP1.84
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile
CID 84682801
6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 82147185
2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 84682804
2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
CID 82099566
6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile
CID 82147223
2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 82099535
1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane
CID 158001195
2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)propanoic acid
CID 82099552
6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile
CID 82146980
6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile
CID 82147361
1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one
CID 80581118
3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile
CID 121210174

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile (CID 82147177) is 2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile is CC(C)c1ccc(C#N)c(=O)n1CC1CCNCC1.
What is the InChIKey of 2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is AKRDNYUMYNEBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)14-4-3-13(9-16)15(19)18(14)10-12-5-7-17-8-6-12/h3-4,11-12,17H,5-8,10H2,1-2H3.
What are the key properties of 2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile?
2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 82147177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).