2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile

C20H20ClN3O2 — CID 110350109

IUPAC2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile
SMILESCOc1ccccc1C(=O)N1CCN(C(C#N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClN3O2/c1-26-19-8-3-2-7-17(19)20(25)24-11-9-23(10-12-24)18(14-22)15-5-4-6-16(21)13-15/h2-8,13,18H,9-12H2,1H3
InChIKeyJTCGMEFVQBNVBD-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.37
Rot. Bonds4

About 2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile

2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile (PubChem CID 110350109) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile
PubChem CID110350109
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile
SMILESCOc1ccccc1C(=O)N1CCN(C(C#N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClN3O2/c1-26-19-8-3-2-7-17(19)20(25)24-11-9-23(10-12-24)18(14-22)15-5-4-6-16(21)13-15/h2-8,13,18H,9-12H2,1H3
InChIKeyJTCGMEFVQBNVBD-UHFFFAOYSA-N
XLogP3.37
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349807
2-(3-chlorophenyl)-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetonitrile
CID 110350144
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349808
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)acetonitrile
CID 110349882
2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110350143
2-(3-chlorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110818232
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 110818196
2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile
CID 110349895
2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 108567688
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
2-[4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 78862988

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile (CID 110350109) is 2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile is COc1ccccc1C(=O)N1CCN(C(C#N)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile?
The InChIKey is JTCGMEFVQBNVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-26-19-8-3-2-7-17(19)20(25)24-11-9-23(10-12-24)18(14-22)15-5-4-6-16(21)13-15/h2-8,13,18H,9-12H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile?
2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile has a molecular weight of 369.85 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 110350109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).