piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone

C17H22N4O — CID 6624668

IUPACpiperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone
SMILESO=C(c1cnn2c3c(cnc12)CCCCC3)N1CCCCC1
InChIInChI=1S/C17H22N4O/c22-17(20-9-5-2-6-10-20)14-12-19-21-15-8-4-1-3-7-13(15)11-18-16(14)21/h11-12H,1-10H2
InChIKeyFLZWUWDDZVKJOX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.62
Rot. Bonds1

About piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone

piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone (PubChem CID 6624668) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone
PubChem CID6624668
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Namepiperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone
SMILESO=C(c1cnn2c3c(cnc12)CCCCC3)N1CCCCC1
InChIInChI=1S/C17H22N4O/c22-17(20-9-5-2-6-10-20)14-12-19-21-15-8-4-1-3-7-13(15)11-18-16(14)21/h11-12H,1-10H2
InChIKeyFLZWUWDDZVKJOX-UHFFFAOYSA-N
XLogP2.62
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone?
The IUPAC name of piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone (CID 6624668) is piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone.
What is the SMILES notation for piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone?
The canonical SMILES for piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone is O=C(c1cnn2c3c(cnc12)CCCCC3)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone?
The InChIKey is FLZWUWDDZVKJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(20-9-5-2-6-10-20)14-12-19-21-15-8-4-1-3-7-13(15)11-18-16(14)21/h11-12H,1-10H2.
What are the key properties of piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone?
piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraen-5-yl)methanone is sourced from PubChem (CID 6624668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).