1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile

C17H22N2O2 — CID 49063748

IUPAC1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile
SMILESCC(C)c1ccc(OCC(=O)N2CCC(C#N)CC2)cc1
InChIInChI=1S/C17H22N2O2/c1-13(2)15-3-5-16(6-4-15)21-12-17(20)19-9-7-14(11-18)8-10-19/h3-6,13-14H,7-10,12H2,1-2H3
InChIKeyOXCRAOBSPXFGSD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile

1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile (PubChem CID 49063748) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile
PubChem CID49063748
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile
SMILESCC(C)c1ccc(OCC(=O)N2CCC(C#N)CC2)cc1
InChIInChI=1S/C17H22N2O2/c1-13(2)15-3-5-16(6-4-15)21-12-17(20)19-9-7-14(11-18)8-10-19/h3-6,13-14H,7-10,12H2,1-2H3
InChIKeyOXCRAOBSPXFGSD-UHFFFAOYSA-N
XLogP2.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119485990
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 9109359
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 119380301
4-[4-[2-(4-propan-2-ylphenoxy)acetyl]-1,4-diazepan-1-yl]benzonitrile
CID 55716173
N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592560
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119380300
1-[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 146137650
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
1-(1,4-diazepan-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119417235

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile (CID 49063748) is 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile is CC(C)c1ccc(OCC(=O)N2CCC(C#N)CC2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile?
The InChIKey is OXCRAOBSPXFGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)15-3-5-16(6-4-15)21-12-17(20)19-9-7-14(11-18)8-10-19/h3-6,13-14H,7-10,12H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile?
1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile is sourced from PubChem (CID 49063748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).