14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

C26H34N4O4 — CID 155330151

IUPAC14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
SMILESCOc1ccc2c3c([nH]c2c1)C(CC(C)C)N1C(=O)C(CC(=O)N2CCCCC2)NC(=O)C1C3
InChIInChI=1S/C26H34N4O4/c1-15(2)11-21-24-18(17-8-7-16(34-3)12-19(17)27-24)13-22-25(32)28-20(26(33)30(21)22)14-23(31)29-9-5-4-6-10-29/h7-8,12,15,20-22,27H,4-6,9-11,13-14H2,1-3H3,(H,28,32)
InChIKeyMLATYQUWOMACKU-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.92
Rot. Bonds5

About 14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione (PubChem CID 155330151) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione.

Molecular Properties

Compound Name14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
PubChem CID155330151
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
SMILESCOc1ccc2c3c([nH]c2c1)C(CC(C)C)N1C(=O)C(CC(=O)N2CCCCC2)NC(=O)C1C3
InChIInChI=1S/C26H34N4O4/c1-15(2)11-21-24-18(17-8-7-16(34-3)12-19(17)27-24)13-22-25(32)28-20(26(33)30(21)22)14-23(31)29-9-5-4-6-10-29/h7-8,12,15,20-22,27H,4-6,9-11,13-14H2,1-3H3,(H,28,32)
InChIKeyMLATYQUWOMACKU-UHFFFAOYSA-N
XLogP2.92
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione?
The IUPAC name of 14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione (CID 155330151) is 14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione.
What is the SMILES notation for 14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione?
The canonical SMILES for 14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is COc1ccc2c3c([nH]c2c1)C(CC(C)C)N1C(=O)C(CC(=O)N2CCCCC2)NC(=O)C1C3.
What is the InChIKey of 14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione?
The InChIKey is MLATYQUWOMACKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-15(2)11-21-24-18(17-8-7-16(34-3)12-19(17)27-24)13-22-25(32)28-20(26(33)30(21)22)14-23(31)29-9-5-4-6-10-29/h7-8,12,15,20-22,27H,4-6,9-11,13-14H2,1-3H3,(H,28,32).
What are the key properties of 14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione?
14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione has a molecular weight of 466.58 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-2-(2-methylpropyl)-5-(2-oxo-2-piperidin-1-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is sourced from PubChem (CID 155330151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).