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

C16H21N3O2 — CID 63337328

IUPAC2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
SMILESCOc1ccc(CC(=O)N2CCN(C(C)C#N)CC2)cc1
InChIInChI=1S/C16H21N3O2/c1-13(12-17)18-7-9-19(10-8-18)16(20)11-14-3-5-15(21-2)6-4-14/h3-6,13H,7-11H2,1-2H3
InChIKeyIEUGCVAQAXJUMA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.29
Rot. Bonds4

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

2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile (PubChem CID 63337328) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
PubChem CID63337328
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
SMILESCOc1ccc(CC(=O)N2CCN(C(C)C#N)CC2)cc1
InChIInChI=1S/C16H21N3O2/c1-13(12-17)18-7-9-19(10-8-18)16(20)11-14-3-5-15(21-2)6-4-14/h3-6,13H,7-11H2,1-2H3
InChIKeyIEUGCVAQAXJUMA-UHFFFAOYSA-N
XLogP1.29
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(4-methoxyphenyl)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

2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
CID 110350372
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile
CID 63337850
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075008
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721524
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 46100707
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
(3S)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butanenitrile
CID 95587037
4-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 110359176
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile (CID 63337328) is 2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile is COc1ccc(CC(=O)N2CCN(C(C)C#N)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile?
The InChIKey is IEUGCVAQAXJUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(12-17)18-7-9-19(10-8-18)16(20)11-14-3-5-15(21-2)6-4-14/h3-6,13H,7-11H2,1-2H3.
What are the key properties of 2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile?
2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile has a molecular weight of 287.36 g/mol, XLogP of 1.29, 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-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 63337328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).