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

C21H23N3O3 — CID 110349895

IUPAC2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile
SMILESCOc1cccc(C(C#N)N2CCN(C(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-26-19-9-5-6-17(14-19)20(15-22)23-10-12-24(13-11-23)21(25)16-27-18-7-3-2-4-8-18/h2-9,14,20H,10-13,16H2,1H3
InChIKeySBIAGGDDYJIOPO-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.48
Rot. Bonds6

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

2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile (PubChem CID 110349895) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile
PubChem CID110349895
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile
SMILESCOc1cccc(C(C#N)N2CCN(C(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-26-19-9-5-6-17(14-19)20(15-22)23-10-12-24(13-11-23)21(25)16-27-18-7-3-2-4-8-18/h2-9,14,20H,10-13,16H2,1H3
InChIKeySBIAGGDDYJIOPO-UHFFFAOYSA-N
XLogP2.48
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)acetonitrile
CID 110349882
2-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349425
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)acetonitrile
CID 110349868
2-[4-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-2-phenylacetonitrile
CID 78825625
2-[4-(2-phenoxyacetyl)piperazin-1-yl]butanenitrile
CID 63337514
2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349906
2-(3-chlorophenyl)-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetonitrile
CID 110350144
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-[4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112800709

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile (CID 110349895) is 2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile is COc1cccc(C(C#N)N2CCN(C(=O)COc3ccccc3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile?
The InChIKey is SBIAGGDDYJIOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-19-9-5-6-17(14-19)20(15-22)23-10-12-24(13-11-23)21(25)16-27-18-7-3-2-4-8-18/h2-9,14,20H,10-13,16H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile?
2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile has a molecular weight of 365.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 110349895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).