1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione

C23H29N3O4 — CID 142184639

IUPAC1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESCOc1ccc2c(c1)CCN1C(=O)C3CCCC21CN3C(=O)C(=O)N1CCCCC1
InChIInChI=1S/C23H29N3O4/c1-30-17-7-8-18-16(14-17)9-13-26-20(27)19-6-5-10-23(18,26)15-25(19)22(29)21(28)24-11-3-2-4-12-24/h7-8,14,19H,2-6,9-13,15H2,1H3
InChIKeyJIDIQTIRXOFSDR-UHFFFAOYSA-N
MW411.50 g/mol
LogP1.68
Rot. Bonds1

About 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione

1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione (PubChem CID 142184639) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione
PubChem CID142184639
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESCOc1ccc2c(c1)CCN1C(=O)C3CCCC21CN3C(=O)C(=O)N1CCCCC1
InChIInChI=1S/C23H29N3O4/c1-30-17-7-8-18-16(14-17)9-13-26-20(27)19-6-5-10-23(18,26)15-25(19)22(29)21(28)24-11-3-2-4-12-24/h7-8,14,19H,2-6,9-13,15H2,1H3
InChIKeyJIDIQTIRXOFSDR-UHFFFAOYSA-N
XLogP1.68
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione (CID 142184639) is 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione is COc1ccc2c(c1)CCN1C(=O)C3CCCC21CN3C(=O)C(=O)N1CCCCC1.
What is the InChIKey of 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is JIDIQTIRXOFSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-30-17-7-8-18-16(14-17)9-13-26-20(27)19-6-5-10-23(18,26)15-25(19)22(29)21(28)24-11-3-2-4-12-24/h7-8,14,19H,2-6,9-13,15H2,1H3.
What are the key properties of 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione?
1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 411.50 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-11-oxo-10,17-diazatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 142184639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).