2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole

C24H22N6O — CID 58266341

IUPAC2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole
SMILESc1nnc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)o1
InChIInChI=1S/C24H22N6O/c1-2-8-30(9-3-1)14-16-4-6-17(7-5-16)18-10-20-19-11-21(24-29-27-15-31-24)25-13-22(19)28-23(20)26-12-18/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,28)
InChIKeyHKQUHJFCVOBXLG-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.81
Rot. Bonds4

About 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole

2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole (PubChem CID 58266341) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole
PubChem CID58266341
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole
SMILESc1nnc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)o1
InChIInChI=1S/C24H22N6O/c1-2-8-30(9-3-1)14-16-4-6-17(7-5-16)18-10-20-19-11-21(24-29-27-15-31-24)25-13-22(19)28-23(20)26-12-18/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,28)
InChIKeyHKQUHJFCVOBXLG-UHFFFAOYSA-N
XLogP4.81
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole 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 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole (CID 58266341) is 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole is c1nnc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)o1.
What is the InChIKey of 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole?
The InChIKey is HKQUHJFCVOBXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-2-8-30(9-3-1)14-16-4-6-17(7-5-16)18-10-20-19-11-21(24-29-27-15-31-24)25-13-22(19)28-23(20)26-12-18/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,28).
What are the key properties of 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole?
2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole has a molecular weight of 410.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 58266341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).