[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone

C24H22Cl2N2O3 — CID 25093752

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone
SMILESCOc1ccc(Oc2ccc(C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-30-19-7-9-21(10-8-19)31-20-5-2-17(3-6-20)24(29)28-14-12-27(13-15-28)18-4-11-22(25)23(26)16-18/h2-11,16H,12-15H2,1H3
InChIKeyLBRNQCKHPLCYNI-UHFFFAOYSA-N
MW457.36 g/mol
LogP5.76
Rot. Bonds5

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone

[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone (PubChem CID 25093752) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone
PubChem CID25093752
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone
SMILESCOc1ccc(Oc2ccc(C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-30-19-7-9-21(10-8-19)31-20-5-2-17(3-6-20)24(29)28-14-12-27(13-15-28)18-4-11-22(25)23(26)16-18/h2-11,16H,12-15H2,1H3
InChIKeyLBRNQCKHPLCYNI-UHFFFAOYSA-N
XLogP5.76
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone with MolForge

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Related Compounds

[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
(3,4-dichlorophenyl)-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077951
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 4790784
(3,6-dichloro-2-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51148520
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079610
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113080416
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
3,4-dichloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17127951
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone (CID 25093752) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone is COc1ccc(Oc2ccc(C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2)cc1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone?
The InChIKey is LBRNQCKHPLCYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-30-19-7-9-21(10-8-19)31-20-5-2-17(3-6-20)24(29)28-14-12-27(13-15-28)18-4-11-22(25)23(26)16-18/h2-11,16H,12-15H2,1H3.
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone has a molecular weight of 457.36 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone is sourced from PubChem (CID 25093752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).