[4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone

C23H26N2O3 — CID 1034153

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2oc3cc(C)c(C)cc3c2C)CC1
InChIInChI=1S/C23H26N2O3/c1-15-13-18-17(3)22(28-21(18)14-16(15)2)23(26)25-11-9-24(10-12-25)19-7-5-6-8-20(19)27-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyDANYGKFRZPICMK-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.33
Rot. Bonds3

About [4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone (PubChem CID 1034153) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
PubChem CID1034153
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2oc3cc(C)c(C)cc3c2C)CC1
InChIInChI=1S/C23H26N2O3/c1-15-13-18-17(3)22(28-21(18)14-16(15)2)23(26)25-11-9-24(10-12-25)19-7-5-6-8-20(19)27-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyDANYGKFRZPICMK-UHFFFAOYSA-N
XLogP4.33
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone (CID 1034153) is [4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone is COc1ccccc1N1CCN(C(=O)c2oc3cc(C)c(C)cc3c2C)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is DANYGKFRZPICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-13-18-17(3)22(28-21(18)14-16(15)2)23(26)25-11-9-24(10-12-25)19-7-5-6-8-20(19)27-4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 378.47 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 1034153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).