6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile

C13H15N3O2 — CID 71799078

IUPAC6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile
SMILESCC(=O)N1CCC(Oc2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H15N3O2/c1-10(17)16-6-4-12(5-7-16)18-13-3-2-11(8-14)9-15-13/h2-3,9,12H,4-7H2,1H3
InChIKeyTYPIHVMEAAPKIM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.34
Rot. Bonds2

About 6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile

6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile (PubChem CID 71799078) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile
PubChem CID71799078
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile
SMILESCC(=O)N1CCC(Oc2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H15N3O2/c1-10(17)16-6-4-12(5-7-16)18-13-3-2-11(8-14)9-15-13/h2-3,9,12H,4-7H2,1H3
InChIKeyTYPIHVMEAAPKIM-UHFFFAOYSA-N
XLogP1.34
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenoxynicotinonitrile
CID 84242
6-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 23646143
5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy)-pyridine
CID 11666852
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
6-((1-Cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy)nicotinonitrile
CID 24889741
6-[6-(1-Cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one
CID 24992851
6-[6-(1-Cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylpyridazin-3-one
CID 24992852
6-[6-(1-Cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one
CID 24992853
3-Pyridinecarbonitrile, 6-phenoxy-
CID 514828
2-Methoxypyridine-3-carbonitrile
CID 252099
(6-(2-Methoxyethoxy)pyridin-3-yl)methanamine
CID 20113673
4-Methoxy-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
CID 1484342

Frequently Asked Questions

What is the IUPAC name of 6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile?
The IUPAC name of 6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile (CID 71799078) is 6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile?
The canonical SMILES for 6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile is CC(=O)N1CCC(Oc2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile?
The InChIKey is TYPIHVMEAAPKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(17)16-6-4-12(5-7-16)18-13-3-2-11(8-14)9-15-13/h2-3,9,12H,4-7H2,1H3.
What are the key properties of 6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile?
6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetylpiperidin-4-yl)oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).