12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene

C18H17N5 — CID 101104667

IUPAC12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
SMILESc1cnc2ccc3nc(N4CCNCC4)c4cccn4c3c2c1
InChIInChI=1S/C18H17N5/c1-3-13-14(20-7-1)5-6-15-17(13)23-10-2-4-16(23)18(21-15)22-11-8-19-9-12-22/h1-7,10,19H,8-9,11-12H2
InChIKeyGPQBTKDPVCKOMF-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.45
Rot. Bonds1

About 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene

12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene (PubChem CID 101104667) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene.

Molecular Properties

Compound Name12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
PubChem CID101104667
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
SMILESc1cnc2ccc3nc(N4CCNCC4)c4cccn4c3c2c1
InChIInChI=1S/C18H17N5/c1-3-13-14(20-7-1)5-6-15-17(13)23-10-2-4-16(23)18(21-15)22-11-8-19-9-12-22/h1-7,10,19H,8-9,11-12H2
InChIKeyGPQBTKDPVCKOMF-UHFFFAOYSA-N
XLogP2.45
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene with MolForge

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Related Compounds

12-(4-prop-2-enylpiperazin-1-yl)-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 10569395
5-piperazin-1-ylquinoline
CID 10656226
7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 19978082
(3E,4E)-3,4-di(ethylidene)-1-piperazin-1-ylpyrrolo[1,2-a]pyrazine
CID 166808439
6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 13114342
7-(4-phenylpiperazin-1-yl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10853821
1-piperazin-1-ylisoquinolin-5-amine
CID 82570237
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
6-(1,4-diazepan-1-yl)quinoline
CID 62635992
2-piperazin-1-yl-[1,3]thiazolo[4,5-b]pyridine
CID 70274211
4-(1,4-diazepan-1-yl)quinoline
CID 61339543
4-piperazin-1-yl-1,5-naphthyridine
CID 57013367

Frequently Asked Questions

What is the IUPAC name of 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene?
The IUPAC name of 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene (CID 101104667) is 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene.
What is the SMILES notation for 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene?
The canonical SMILES for 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene is c1cnc2ccc3nc(N4CCNCC4)c4cccn4c3c2c1.
What is the InChIKey of 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene?
The InChIKey is GPQBTKDPVCKOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-3-13-14(20-7-1)5-6-15-17(13)23-10-2-4-16(23)18(21-15)22-11-8-19-9-12-22/h1-7,10,19H,8-9,11-12H2.
What are the key properties of 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene?
12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene has a molecular weight of 303.37 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene is sourced from PubChem (CID 101104667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).