(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C20H24N2O4 — CID 113077374

IUPAC(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-16-9-7-15(8-10-16)21-11-13-22(14-12-21)20(23)19-17(25-2)5-4-6-18(19)26-3/h4-10H,11-14H2,1-3H3
InChIKeyWKANEGGHXSSWDK-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.67
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 113077374) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID113077374
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-16-9-7-15(8-10-16)21-11-13-22(14-12-21)20(23)19-17(25-2)5-4-6-18(19)26-3/h4-10H,11-14H2,1-3H3
InChIKeyWKANEGGHXSSWDK-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

(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(2,6-dimethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3777352
(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077809
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 113076851
3-(2,6-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 100789580
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
(4-bromo-3,5-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55413833
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 113077374) is (2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is WKANEGGHXSSWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-16-9-7-15(8-10-16)21-11-13-22(14-12-21)20(23)19-17(25-2)5-4-6-18(19)26-3/h4-10H,11-14H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]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 (2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113077374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).