2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile

C15H19N3O2 — CID 47439819

IUPAC2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
SMILESCOc1cccc(CC(=O)N2CCN(CC#N)CC2)c1
InChIInChI=1S/C15H19N3O2/c1-20-14-4-2-3-13(11-14)12-15(19)18-9-7-17(6-5-16)8-10-18/h2-4,11H,6-10,12H2,1H3
InChIKeyMSTDASRNDGSSMO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.91
Rot. Bonds4

About 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile

2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile (PubChem CID 47439819) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
PubChem CID47439819
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
SMILESCOc1cccc(CC(=O)N2CCN(CC#N)CC2)c1
InChIInChI=1S/C15H19N3O2/c1-20-14-4-2-3-13(11-14)12-15(19)18-9-7-17(6-5-16)8-10-18/h2-4,11H,6-10,12H2,1H3
InChIKeyMSTDASRNDGSSMO-UHFFFAOYSA-N
XLogP0.91
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile 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

(3S)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butanenitrile
CID 95587037
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 63336887
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 134032771
2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
CID 56822423
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]benzonitrile
CID 48868562
N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811014
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-[4-[2-(3,4-dimethylphenyl)acetyl]piperazin-1-yl]acetonitrile
CID 63336888
N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile (CID 47439819) is 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile is COc1cccc(CC(=O)N2CCN(CC#N)CC2)c1.
What is the InChIKey of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile?
The InChIKey is MSTDASRNDGSSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-14-4-2-3-13(11-14)12-15(19)18-9-7-17(6-5-16)8-10-18/h2-4,11H,6-10,12H2,1H3.
What are the key properties of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile?
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile is sourced from PubChem (CID 47439819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).