13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione

C19H16N4O2 — CID 71588283

IUPAC13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
SMILESO=C1c2ccc(N3CCCCC3)cc2-n2c1nc1ncccc1c2=O
InChIInChI=1S/C19H16N4O2/c24-16-13-7-6-12(22-9-2-1-3-10-22)11-15(13)23-18(16)21-17-14(19(23)25)5-4-8-20-17/h4-8,11H,1-3,9-10H2
InChIKeyPBQYJODZQQZOBD-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.32
Rot. Bonds1

About 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione

13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione (PubChem CID 71588283) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione.

Molecular Properties

Compound Name13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
PubChem CID71588283
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
SMILESO=C1c2ccc(N3CCCCC3)cc2-n2c1nc1ncccc1c2=O
InChIInChI=1S/C19H16N4O2/c24-16-13-7-6-12(22-9-2-1-3-10-22)11-15(13)23-18(16)21-17-14(19(23)25)5-4-8-20-17/h4-8,11H,1-3,9-10H2
InChIKeyPBQYJODZQQZOBD-UHFFFAOYSA-N
XLogP2.32
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
The IUPAC name of 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione (CID 71588283) is 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione.
What is the SMILES notation for 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
The canonical SMILES for 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione is O=C1c2ccc(N3CCCCC3)cc2-n2c1nc1ncccc1c2=O.
What is the InChIKey of 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
The InChIKey is PBQYJODZQQZOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-16-13-7-6-12(22-9-2-1-3-10-22)11-15(13)23-18(16)21-17-14(19(23)25)5-4-8-20-17/h4-8,11H,1-3,9-10H2.
What are the key properties of 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione has a molecular weight of 332.36 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione is sourced from PubChem (CID 71588283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).