4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile

C25H26N6 — CID 164610134

IUPAC4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile
SMILESN#Cc1c(N2CCCCC2)c2ccc(N3CCCCC3)cc2n2c1nc1cccnc12
InChIInChI=1S/C25H26N6/c26-17-20-23(30-14-5-2-6-15-30)19-10-9-18(29-12-3-1-4-13-29)16-22(19)31-24(20)28-21-8-7-11-27-25(21)31/h7-11,16H,1-6,12-15H2
InChIKeyWRXQTJHIIHJPSZ-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.89
Rot. Bonds2

About 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile

4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile (PubChem CID 164610134) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile.

Molecular Properties

Compound Name4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile
PubChem CID164610134
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile
SMILESN#Cc1c(N2CCCCC2)c2ccc(N3CCCCC3)cc2n2c1nc1cccnc12
InChIInChI=1S/C25H26N6/c26-17-20-23(30-14-5-2-6-15-30)19-10-9-18(29-12-3-1-4-13-29)16-22(19)31-24(20)28-21-8-7-11-27-25(21)31/h7-11,16H,1-6,12-15H2
InChIKeyWRXQTJHIIHJPSZ-UHFFFAOYSA-N
XLogP4.89
TPSA60.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile?
The IUPAC name of 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile (CID 164610134) is 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile.
What is the SMILES notation for 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile?
The canonical SMILES for 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile is N#Cc1c(N2CCCCC2)c2ccc(N3CCCCC3)cc2n2c1nc1cccnc12.
What is the InChIKey of 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile?
The InChIKey is WRXQTJHIIHJPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c26-17-20-23(30-14-5-2-6-15-30)19-10-9-18(29-12-3-1-4-13-29)16-22(19)31-24(20)28-21-8-7-11-27-25(21)31/h7-11,16H,1-6,12-15H2.
What are the key properties of 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile?
4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile has a molecular weight of 410.53 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-di(piperidin-1-yl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-9-carbonitrile is sourced from PubChem (CID 164610134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).