1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile

C16H20N2O2 — CID 91774861

IUPAC1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile
SMILESCCOc1ccc(CC(=O)N2CCCC(C#N)C2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-20-15-7-5-13(6-8-15)10-16(19)18-9-3-4-14(11-17)12-18/h5-8,14H,2-4,9-10,12H2,1H3
InChIKeyVWELMKPGZLARLV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile

1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile (PubChem CID 91774861) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile
PubChem CID91774861
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile
SMILESCCOc1ccc(CC(=O)N2CCCC(C#N)C2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-20-15-7-5-13(6-8-15)10-16(19)18-9-3-4-14(11-17)12-18/h5-8,14H,2-4,9-10,12H2,1H3
InChIKeyVWELMKPGZLARLV-UHFFFAOYSA-N
XLogP2.39
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403279
2-(4-ethoxyphenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62355915
2-(4-ethoxyphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 110638412
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110866761
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
2-(4-ethoxyphenyl)-1-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 94021780
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 121146543
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 119634878
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile (CID 91774861) is 1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile is CCOc1ccc(CC(=O)N2CCCC(C#N)C2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile?
The InChIKey is VWELMKPGZLARLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-20-15-7-5-13(6-8-15)10-16(19)18-9-3-4-14(11-17)12-18/h5-8,14H,2-4,9-10,12H2,1H3.
What are the key properties of 1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile?
1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)acetyl]piperidine-3-carbonitrile is sourced from PubChem (CID 91774861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).