15-[2-(4-methylpiperazin-1-yl)acetyl]-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

C24H24N4O3 — CID 10158853

IUPAC15-[2-(4-methylpiperazin-1-yl)acetyl]-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
SMILESCN1CCN(CC(=O)c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)CC1
InChIInChI=1S/C24H24N4O3/c1-27-7-9-28(10-8-27)12-18(29)13-5-6-17-16(11-13)19-21-20(23(30)26-24(21)31)14-3-2-4-15(14)22(19)25-17/h5-6,11,25H,2-4,7-10,12H2,1H3,(H,26,30,31)
InChIKeyZDCHRCLWYNIDOA-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.12
Rot. Bonds3

About 15-[2-(4-methylpiperazin-1-yl)acetyl]-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-(4-methylpiperazin-1-yl)acetyl]-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 10158853) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 15-[2-(4-methylpiperazin-1-yl)acetyl]-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-(4-methylpiperazin-1-yl)acetyl]-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 CID10158853
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name15-[2-(4-methylpiperazin-1-yl)acetyl]-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
SMILESCN1CCN(CC(=O)c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)CC1
InChIInChI=1S/C24H24N4O3/c1-27-7-9-28(10-8-27)12-18(29)13-5-6-17-16(11-13)19-21-20(23(30)26-24(21)31)14-3-2-4-15(14)22(19)25-17/h5-6,11,25H,2-4,7-10,12H2,1H3,(H,26,30,31)
InChIKeyZDCHRCLWYNIDOA-UHFFFAOYSA-N
XLogP2.12
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 15-[2-(4-methylpiperazin-1-yl)acetyl]-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-[2-(4-methylpiperazin-1-yl)acetyl]-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-(4-methylpiperazin-1-yl)acetyl]-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 10158853) is 15-[2-(4-methylpiperazin-1-yl)acetyl]-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-(4-methylpiperazin-1-yl)acetyl]-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-(4-methylpiperazin-1-yl)acetyl]-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 CN1CCN(CC(=O)c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)CC1.
What is the InChIKey of 15-[2-(4-methylpiperazin-1-yl)acetyl]-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 ZDCHRCLWYNIDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-27-7-9-28(10-8-27)12-18(29)13-5-6-17-16(11-13)19-21-20(23(30)26-24(21)31)14-3-2-4-15(14)22(19)25-17/h5-6,11,25H,2-4,7-10,12H2,1H3,(H,26,30,31).
What are the key properties of 15-[2-(4-methylpiperazin-1-yl)acetyl]-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-(4-methylpiperazin-1-yl)acetyl]-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 416.48 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(4-methylpiperazin-1-yl)acetyl]-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 10158853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).