2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile

C14H16N2O2 — CID 116820331

IUPAC2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCOc2ccccc2)C(=O)C1
InChIInChI=1S/C14H16N2O2/c15-11-12-6-7-16(14(17)10-12)8-9-18-13-4-2-1-3-5-13/h1-5,12H,6-10H2
InChIKeyUJEPIZNETACNKS-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.83
Rot. Bonds4

About 2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile

2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile (PubChem CID 116820331) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile
PubChem CID116820331
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCOc2ccccc2)C(=O)C1
InChIInChI=1S/C14H16N2O2/c15-11-12-6-7-16(14(17)10-12)8-9-18-13-4-2-1-3-5-13/h1-5,12H,6-10H2
InChIKeyUJEPIZNETACNKS-UHFFFAOYSA-N
XLogP1.83
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116820340
1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116820334
1-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 82086762
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837872
2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile
CID 116837901
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[2-(3,4-dimethylphenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837870
1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 82089561
2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119334857
1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carbonitrile
CID 116838048

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile?
The IUPAC name of 2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile (CID 116820331) is 2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile?
The canonical SMILES for 2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile is N#CC1CCN(CCOc2ccccc2)C(=O)C1.
What is the InChIKey of 2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile?
The InChIKey is UJEPIZNETACNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-11-12-6-7-16(14(17)10-12)8-9-18-13-4-2-1-3-5-13/h1-5,12H,6-10H2.
What are the key properties of 2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile?
2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile has a molecular weight of 244.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 116820331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).