5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile

C14H17N3O — CID 1471732

IUPAC5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N2CCCCC2)nc1C
InChIInChI=1S/C14H17N3O/c1-10-13(11(2)18)8-12(9-15)14(16-10)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3
InChIKeySPJTZYKHTQMLJY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds2

About 5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile

5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile (PubChem CID 1471732) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile
PubChem CID1471732
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N2CCCCC2)nc1C
InChIInChI=1S/C14H17N3O/c1-10-13(11(2)18)8-12(9-15)14(16-10)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3
InChIKeySPJTZYKHTQMLJY-UHFFFAOYSA-N
XLogP2.45
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile (CID 1471732) is 5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(N2CCCCC2)nc1C.
What is the InChIKey of 5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile?
The InChIKey is SPJTZYKHTQMLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-13(11(2)18)8-12(9-15)14(16-10)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3.
What are the key properties of 5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile?
5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 1471732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).