N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine

C24H28N2O — CID 21414229

IUPACN-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine
SMILESc1ccc2c(c1)C(=NOCCCN1CCCCC1)c1ccccc1C1CC21
InChIInChI=1S/C24H28N2O/c1-6-13-26(14-7-1)15-8-16-27-25-24-20-11-4-2-9-18(20)22-17-23(22)19-10-3-5-12-21(19)24/h2-5,9-12,22-23H,1,6-8,13-17H2
InChIKeySXCJSBNQWVEMRS-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.92
Rot. Bonds5

About N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine

N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine (PubChem CID 21414229) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine
PubChem CID21414229
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine
SMILESc1ccc2c(c1)C(=NOCCCN1CCCCC1)c1ccccc1C1CC21
InChIInChI=1S/C24H28N2O/c1-6-13-26(14-7-1)15-8-16-27-25-24-20-11-4-2-9-18(20)22-17-23(22)19-10-3-5-12-21(19)24/h2-5,9-12,22-23H,1,6-8,13-17H2
InChIKeySXCJSBNQWVEMRS-UHFFFAOYSA-N
XLogP4.92
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine 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 N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine?
The IUPAC name of N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine (CID 21414229) is N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine.
What is the SMILES notation for N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine?
The canonical SMILES for N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine is c1ccc2c(c1)C(=NOCCCN1CCCCC1)c1ccccc1C1CC21.
What is the InChIKey of N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine?
The InChIKey is SXCJSBNQWVEMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-6-13-26(14-7-1)15-8-16-27-25-24-20-11-4-2-9-18(20)22-17-23(22)19-10-3-5-12-21(19)24/h2-5,9-12,22-23H,1,6-8,13-17H2.
What are the key properties of N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine?
N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine has a molecular weight of 360.50 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine is sourced from PubChem (CID 21414229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).