[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

C20H24N2O4 — CID 113077894

IUPAC[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3OC)CC2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-24-15-8-9-17(19(14-15)26-3)21-10-12-22(13-11-21)20(23)16-6-4-5-7-18(16)25-2/h4-9,14H,10-13H2,1-3H3
InChIKeyXXNBUQHFQUPOLI-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.67
Rot. Bonds5

About [4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 113077894) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID113077894
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3OC)CC2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-24-15-8-9-17(19(14-15)26-3)21-10-12-22(13-11-21)20(23)16-6-4-5-7-18(16)25-2/h4-9,14H,10-13H2,1-3H3
InChIKeyXXNBUQHFQUPOLI-UHFFFAOYSA-N
XLogP2.67
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
(5-methoxy-1-methylindol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71701857
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one
CID 4740951
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077809
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 113077894) is [4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccc(N2CCN(C(=O)c3ccccc3OC)CC2)c(OC)c1.
What is the InChIKey of [4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is XXNBUQHFQUPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-15-8-9-17(19(14-15)26-3)21-10-12-22(13-11-21)20(23)16-6-4-5-7-18(16)25-2/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 356.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 113077894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).