5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

C19H25N5 — CID 24803055

IUPAC5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCCCc1nc(C)c2c(C)nc3ccc(N4CCCCC4)nc3n12
InChIInChI=1S/C19H25N5/c1-4-8-17-21-14(3)18-13(2)20-15-9-10-16(22-19(15)24(17)18)23-11-6-5-7-12-23/h9-10H,4-8,11-12H2,1-3H3
InChIKeyJCDZLXSQZZKINM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.84
Rot. Bonds3

About 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 24803055) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID24803055
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCCCc1nc(C)c2c(C)nc3ccc(N4CCCCC4)nc3n12
InChIInChI=1S/C19H25N5/c1-4-8-17-21-14(3)18-13(2)20-15-9-10-16(22-19(15)24(17)18)23-11-6-5-7-12-23/h9-10H,4-8,11-12H2,1-3H3
InChIKeyJCDZLXSQZZKINM-UHFFFAOYSA-N
XLogP3.84
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene 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 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The IUPAC name of 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 24803055) is 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
What is the SMILES notation for 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The canonical SMILES for 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is CCCc1nc(C)c2c(C)nc3ccc(N4CCCCC4)nc3n12.
What is the InChIKey of 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is JCDZLXSQZZKINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-4-8-17-21-14(3)18-13(2)20-15-9-10-16(22-19(15)24(17)18)23-11-6-5-7-12-23/h9-10H,4-8,11-12H2,1-3H3.
What are the key properties of 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene has a molecular weight of 323.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is sourced from PubChem (CID 24803055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).