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

C21H26N2O5 — CID 28757

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C21H26N2O5/c1-25-17-8-6-5-7-16(17)22-9-11-23(12-10-22)21(24)15-13-18(26-2)20(28-4)19(14-15)27-3/h5-8,13-14H,9-12H2,1-4H3
InChIKeyVZXZRWMCGPZELL-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.68
Rot. Bonds6

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 28757) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID28757
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C21H26N2O5/c1-25-17-8-6-5-7-16(17)22-9-11-23(12-10-22)21(24)15-13-18(26-2)20(28-4)19(14-15)27-3/h5-8,13-14H,9-12H2,1-4H3
InChIKeyVZXZRWMCGPZELL-UHFFFAOYSA-N
XLogP2.68
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 28757) is [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccccc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is VZXZRWMCGPZELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-25-17-8-6-5-7-16(17)22-9-11-23(12-10-22)21(24)15-13-18(26-2)20(28-4)19(14-15)27-3/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 386.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 28757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).