2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile

C15H18ClN3O2 — CID 63337761

IUPAC2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3O2/c1-12(10-17)18-6-8-19(9-7-18)15(20)11-21-14-4-2-13(16)3-5-14/h2-5,12H,6-9,11H2,1H3
InChIKeyWUZFDXLFVXMATI-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.78
Rot. Bonds4

About 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile

2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile (PubChem CID 63337761) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile
PubChem CID63337761
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3O2/c1-12(10-17)18-6-8-19(9-7-18)15(20)11-21-14-4-2-13(16)3-5-14/h2-5,12H,6-9,11H2,1H3
InChIKeyWUZFDXLFVXMATI-UHFFFAOYSA-N
XLogP1.78
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile 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

3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]butanenitrile
CID 51091678
(3R)-3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]butanenitrile
CID 94498307
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46100506
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108547312
2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
CID 63337328
1-(4-butan-2-ylpiperazin-4-ium-1-yl)-2-(4-chlorophenoxy)ethanone
CID 3251737
2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile
CID 55218750
2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186881
2-[4-(2-phenoxyacetyl)piperazin-1-yl]butanenitrile
CID 63337514
2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133283771

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile (CID 63337761) is 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile?
The InChIKey is WUZFDXLFVXMATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-12(10-17)18-6-8-19(9-7-18)15(20)11-21-14-4-2-13(16)3-5-14/h2-5,12H,6-9,11H2,1H3.
What are the key properties of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile?
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile has a molecular weight of 307.78 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 63337761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).