[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H22Cl2N2O4 — CID 1265525

IUPAC[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc(OC)c1OC
InChIInChI=1S/C20H22Cl2N2O4/c1-26-17-10-13(11-18(27-2)19(17)28-3)20(25)24-8-6-23(7-9-24)16-12-14(21)4-5-15(16)22/h4-5,10-12H,6-9H2,1-3H3
InChIKeyILTWUUDBGOJLLX-UHFFFAOYSA-N
MW425.31 g/mol
LogP3.98
Rot. Bonds5

About [4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 1265525) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID1265525
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC Name[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc(OC)c1OC
InChIInChI=1S/C20H22Cl2N2O4/c1-26-17-10-13(11-18(27-2)19(17)28-3)20(25)24-8-6-23(7-9-24)16-12-14(21)4-5-15(16)22/h4-5,10-12H,6-9H2,1-3H3
InChIKeyILTWUUDBGOJLLX-UHFFFAOYSA-N
XLogP3.98
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 1265525) is [4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc(OC)c1OC.
What is the InChIKey of [4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ILTWUUDBGOJLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-26-17-10-13(11-18(27-2)19(17)28-3)20(25)24-8-6-23(7-9-24)16-12-14(21)4-5-15(16)22/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of [4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 425.31 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 1265525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).