15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

C24H23N3O3 — CID 10135674

IUPAC15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESO=C(CN1CCCCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4
InChIInChI=1S/C24H23N3O3/c28-18(12-27-9-2-1-3-10-27)13-7-8-17-16(11-13)19-21-20(23(29)26-24(21)30)14-5-4-6-15(14)22(19)25-17/h7-8,11,25H,1-6,9-10,12H2,(H,26,29,30)
InChIKeyJLAGYCMWCGSRDH-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.36
Rot. Bonds3

About 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (PubChem CID 10135674) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.

Molecular Properties

Compound Name15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
PubChem CID10135674
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESO=C(CN1CCCCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4
InChIInChI=1S/C24H23N3O3/c28-18(12-27-9-2-1-3-10-27)13-7-8-17-16(11-13)19-21-20(23(29)26-24(21)30)14-5-4-6-15(14)22(19)25-17/h7-8,11,25H,1-6,9-10,12H2,(H,26,29,30)
InChIKeyJLAGYCMWCGSRDH-UHFFFAOYSA-N
XLogP3.36
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The IUPAC name of 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (CID 10135674) is 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.
What is the SMILES notation for 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The canonical SMILES for 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is O=C(CN1CCCCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4.
What is the InChIKey of 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The InChIKey is JLAGYCMWCGSRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-18(12-27-9-2-1-3-10-27)13-7-8-17-16(11-13)19-21-20(23(29)26-24(21)30)14-5-4-6-15(14)22(19)25-17/h7-8,11,25H,1-6,9-10,12H2,(H,26,29,30).
What are the key properties of 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione has a molecular weight of 401.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-piperidin-1-ylacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is sourced from PubChem (CID 10135674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).