7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one

C24H30N2O4 — CID 66760929

IUPAC7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one
SMILESCOc1ccc(N2CCN(c3c(C)c(OC)c4c(c3C)C(=O)C(C)(C)O4)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-15-19-22(30-24(3,4)23(19)27)21(29-6)16(2)20(15)26-13-11-25(12-14-26)17-7-9-18(28-5)10-8-17/h7-10H,11-14H2,1-6H3
InChIKeyJKXRPPSERVNZDI-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.00
Rot. Bonds4

About 7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one

7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one (PubChem CID 66760929) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one.

Molecular Properties

Compound Name7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one
PubChem CID66760929
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one
SMILESCOc1ccc(N2CCN(c3c(C)c(OC)c4c(c3C)C(=O)C(C)(C)O4)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-15-19-22(30-24(3,4)23(19)27)21(29-6)16(2)20(15)26-13-11-25(12-14-26)17-7-9-18(28-5)10-8-17/h7-10H,11-14H2,1-6H3
InChIKeyJKXRPPSERVNZDI-UHFFFAOYSA-N
XLogP4.00
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one?
The IUPAC name of 7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one (CID 66760929) is 7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one.
What is the SMILES notation for 7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one?
The canonical SMILES for 7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one is COc1ccc(N2CCN(c3c(C)c(OC)c4c(c3C)C(=O)C(C)(C)O4)CC2)cc1.
What is the InChIKey of 7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one?
The InChIKey is JKXRPPSERVNZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-15-19-22(30-24(3,4)23(19)27)21(29-6)16(2)20(15)26-13-11-25(12-14-26)17-7-9-18(28-5)10-8-17/h7-10H,11-14H2,1-6H3.
What are the key properties of 7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one?
7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one has a molecular weight of 410.51 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one is sourced from PubChem (CID 66760929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).