12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine

C22H25N5 — CID 10109125

IUPAC12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
SMILESCc1cnc2c(NCCN3CCCCC3)nc3cc4ccccc4cc3n12
InChIInChI=1S/C22H25N5/c1-16-15-24-22-21(23-9-12-26-10-5-2-6-11-26)25-19-13-17-7-3-4-8-18(17)14-20(19)27(16)22/h3-4,7-8,13-15H,2,5-6,9-12H2,1H3,(H,23,25)
InChIKeyKFIFSKNSIUVOCG-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.24
Rot. Bonds4

About 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine

12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine (PubChem CID 10109125) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine.

Molecular Properties

Compound Name12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
PubChem CID10109125
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
SMILESCc1cnc2c(NCCN3CCCCC3)nc3cc4ccccc4cc3n12
InChIInChI=1S/C22H25N5/c1-16-15-24-22-21(23-9-12-26-10-5-2-6-11-26)25-19-13-17-7-3-4-8-18(17)14-20(19)27(16)22/h3-4,7-8,13-15H,2,5-6,9-12H2,1H3,(H,23,25)
InChIKeyKFIFSKNSIUVOCG-UHFFFAOYSA-N
XLogP4.24
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine 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 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine?
The IUPAC name of 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine (CID 10109125) is 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine.
What is the SMILES notation for 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine?
The canonical SMILES for 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine is Cc1cnc2c(NCCN3CCCCC3)nc3cc4ccccc4cc3n12.
What is the InChIKey of 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine?
The InChIKey is KFIFSKNSIUVOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-16-15-24-22-21(23-9-12-26-10-5-2-6-11-26)25-19-13-17-7-3-4-8-18(17)14-20(19)27(16)22/h3-4,7-8,13-15H,2,5-6,9-12H2,1H3,(H,23,25).
What are the key properties of 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine?
12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine has a molecular weight of 359.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-N-(2-piperidin-1-ylethyl)-11,14,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine is sourced from PubChem (CID 10109125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).