4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione

C32H46N2O5 — CID 20791921

IUPAC4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione
SMILESCCCCCCCCCCCN1CC(=O)N(C)C(Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O
InChIInChI=1S/C32H46N2O5/c1-6-7-8-9-10-11-12-13-14-19-34-23-30(35)33(2)27(32(34)36)20-24-15-17-25(18-16-24)26-21-28(37-3)31(39-5)29(22-26)38-4/h15-18,21-22,27H,6-14,19-20,23H2,1-5H3
InChIKeyUDHAUHIIIPXGJE-UHFFFAOYSA-N
MW538.73 g/mol
LogP6.12
Rot. Bonds16

About 4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione

4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione (PubChem CID 20791921) has the molecular formula C32H46N2O5 and a molecular weight of 538.73 g/mol. Its IUPAC name is 4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione.

Molecular Properties

Compound Name4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione
PubChem CID20791921
Molecular FormulaC32H46N2O5
Molecular Weight538.73 g/mol
Exact Mass538.34
IUPAC Name4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione
SMILESCCCCCCCCCCCN1CC(=O)N(C)C(Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O
InChIInChI=1S/C32H46N2O5/c1-6-7-8-9-10-11-12-13-14-19-34-23-30(35)33(2)27(32(34)36)20-24-15-17-25(18-16-24)26-21-28(37-3)31(39-5)29(22-26)38-4/h15-18,21-22,27H,6-14,19-20,23H2,1-5H3
InChIKeyUDHAUHIIIPXGJE-UHFFFAOYSA-N
XLogP6.12
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.73
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione?
The IUPAC name of 4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione (CID 20791921) is 4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione.
What is the SMILES notation for 4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione?
The canonical SMILES for 4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione is CCCCCCCCCCCN1CC(=O)N(C)C(Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O.
What is the InChIKey of 4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione?
The InChIKey is UDHAUHIIIPXGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O5/c1-6-7-8-9-10-11-12-13-14-19-34-23-30(35)33(2)27(32(34)36)20-24-15-17-25(18-16-24)26-21-28(37-3)31(39-5)29(22-26)38-4/h15-18,21-22,27H,6-14,19-20,23H2,1-5H3.
What are the key properties of 4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione?
4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione has a molecular weight of 538.73 g/mol, XLogP of 6.12, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione is sourced from PubChem (CID 20791921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).