4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile

C20H20N2O2 — CID 24732829

IUPAC4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
SMILESCC(=O)N1CCC(Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1
InChIInChI=1S/C20H20N2O2/c1-15(23)22-12-10-20(11-13-22)24-19-8-6-18(7-9-19)17-4-2-16(14-21)3-5-17/h2-9,20H,10-13H2,1H3
InChIKeyGBAWIJRVXQPBEC-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.61
Rot. Bonds3

About 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile

4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile (PubChem CID 24732829) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
PubChem CID24732829
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
SMILESCC(=O)N1CCC(Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1
InChIInChI=1S/C20H20N2O2/c1-15(23)22-12-10-20(11-13-22)24-19-8-6-18(7-9-19)17-4-2-16(14-21)3-5-17/h2-9,20H,10-13H2,1H3
InChIKeyGBAWIJRVXQPBEC-UHFFFAOYSA-N
XLogP3.61
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224929
4-[1-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]oxybenzonitrile
CID 95907426
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile
CID 97250074
4-[[4-(4-cyanophenoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 122021250
ethyl 4-[4-(4-cyanophenyl)phenoxy]-2-(trifluoromethyl)piperidine-1-carboxylate
CID 89480693
4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile
CID 127281932
4-[[4-(4-cyanophenoxy)piperidin-1-yl]methyl]benzoic acid
CID 122028993
4-[4-(3-oxocyclopentyl)oxyphenyl]benzonitrile
CID 79639113
1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride
CID 156702413

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile?
The IUPAC name of 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile (CID 24732829) is 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile.
What is the SMILES notation for 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile?
The canonical SMILES for 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile is CC(=O)N1CCC(Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1.
What is the InChIKey of 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile?
The InChIKey is GBAWIJRVXQPBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15(23)22-12-10-20(11-13-22)24-19-8-6-18(7-9-19)17-4-2-16(14-21)3-5-17/h2-9,20H,10-13H2,1H3.
What are the key properties of 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile?
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile has a molecular weight of 320.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile is sourced from PubChem (CID 24732829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).