6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride

C14H16ClN5O — CID 136962753

IUPAC6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2nc3cccnc3c2[nH]1
InChIInChI=1S/C14H15N5O.ClH/c20-12-8-11(9-3-6-15-7-4-9)19-14(17-12)13-10(18-19)2-1-5-16-13;/h1-2,5,8-9,15H,3-4,6-7H2,(H,17,20);1H
InChIKeyAOFRNQNKNMSJIO-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.46
Rot. Bonds1

About 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride

6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride (PubChem CID 136962753) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride.

Molecular Properties

Compound Name6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride
PubChem CID136962753
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2nc3cccnc3c2[nH]1
InChIInChI=1S/C14H15N5O.ClH/c20-12-8-11(9-3-6-15-7-4-9)19-14(17-12)13-10(18-19)2-1-5-16-13;/h1-2,5,8-9,15H,3-4,6-7H2,(H,17,20);1H
InChIKeyAOFRNQNKNMSJIO-UHFFFAOYSA-N
XLogP1.46
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride 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 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride?
The IUPAC name of 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride (CID 136962753) is 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride.
What is the SMILES notation for 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride?
The canonical SMILES for 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride is Cl.O=c1cc(C2CCNCC2)n2nc3cccnc3c2[nH]1.
What is the InChIKey of 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride?
The InChIKey is AOFRNQNKNMSJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O.ClH/c20-12-8-11(9-3-6-15-7-4-9)19-14(17-12)13-10(18-19)2-1-5-16-13;/h1-2,5,8-9,15H,3-4,6-7H2,(H,17,20);1H.
What are the key properties of 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride?
6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride has a molecular weight of 305.77 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride is sourced from PubChem (CID 136962753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).