1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile

C15H18N2O2 — CID 116820334

IUPAC1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile
SMILESCc1ccc(OCCN2CCC(C#N)CC2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-12-2-4-14(5-3-12)19-9-8-17-7-6-13(11-16)10-15(17)18/h2-5,13H,6-10H2,1H3
InChIKeyXLURVFKRMLOEKG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.14
Rot. Bonds4

About 1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile

1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile (PubChem CID 116820334) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile
PubChem CID116820334
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile
SMILESCc1ccc(OCCN2CCC(C#N)CC2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-12-2-4-14(5-3-12)19-9-8-17-7-6-13(11-16)10-15(17)18/h2-5,13H,6-10H2,1H3
InChIKeyXLURVFKRMLOEKG-UHFFFAOYSA-N
XLogP2.14
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.14
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
2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile
CID 116820331
1-[2-(3,4-dimethylphenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837870
1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837872
1-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 82086762
1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 82089561
1-[2-(3,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359835
1-[2-(2,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359832
2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile
CID 79497204
1-[2-(4-bromophenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63101038
3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 3240837
2-(5-cyano-2,4-dioxo-1,3-diazinan-1-yl)ethyl 4-methylbenzenesulfonate
CID 78316756

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile (CID 116820334) is 1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile is Cc1ccc(OCCN2CCC(C#N)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile?
The InChIKey is XLURVFKRMLOEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12-2-4-14(5-3-12)19-9-8-17-7-6-13(11-16)10-15(17)18/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile?
1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile is sourced from PubChem (CID 116820334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).