[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

C24H24Cl2N3O3+ — CID 2119312

IUPAC[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H23Cl2N3O3/c1-31-22-14-17(6-8-21(22)32-16-18-5-7-19(25)15-20(18)26)24(30)29-12-10-28(11-13-29)23-4-2-3-9-27-23/h2-9,14-15H,10-13,16H2,1H3/p+1
InChIKeySEUMVQNIIYSDSM-UHFFFAOYSA-O
MW473.38 g/mol
LogP4.36
Rot. Bonds6

About [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone (PubChem CID 2119312) has the molecular formula C24H24Cl2N3O3+ and a molecular weight of 473.38 g/mol. Its IUPAC name is [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
PubChem CID2119312
Molecular FormulaC24H24Cl2N3O3+
Molecular Weight473.38 g/mol
Exact Mass472.12
IUPAC Name[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H23Cl2N3O3/c1-31-22-14-17(6-8-21(22)32-16-18-5-7-19(25)15-20(18)26)24(30)29-12-10-28(11-13-29)23-4-2-3-9-27-23/h2-9,14-15H,10-13,16H2,1H3/p+1
InChIKeySEUMVQNIIYSDSM-UHFFFAOYSA-O
XLogP4.36
TPSA56.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone 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

[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55821680
2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456470
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
2-(2-bromo-4-chlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone
CID 7303245
4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38724959
[4-(3-chlorophenyl)piperazin-1-yl]-(3-methoxy-4-propoxyphenyl)methanone
CID 9146603
4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-morpholin-4-ylbenzamide
CID 9113306
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113076928
(4-aminopiperidin-1-yl)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 119374451
(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186183
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
(4-bromophenyl)methyl 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
CID 4031936

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone (CID 2119312) is [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone is COc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
The InChIKey is SEUMVQNIIYSDSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23Cl2N3O3/c1-31-22-14-17(6-8-21(22)32-16-18-5-7-19(25)15-20(18)26)24(30)29-12-10-28(11-13-29)23-4-2-3-9-27-23/h2-9,14-15H,10-13,16H2,1H3/p+1.
What are the key properties of [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone has a molecular weight of 473.38 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2119312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).