15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

C21H18N2O — CID 12517746

IUPAC15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESO=C1c2ccccc2-c2cc(N3CCCCC3)nc3cccc1c23
InChIInChI=1S/C21H18N2O/c24-21-15-8-3-2-7-14(15)17-13-19(23-11-4-1-5-12-23)22-18-10-6-9-16(21)20(17)18/h2-3,6-10,13H,1,4-5,11-12H2
InChIKeyJYHQOXJRKHOQDK-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.44
Rot. Bonds1

About 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (PubChem CID 12517746) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.

Molecular Properties

Compound Name15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
PubChem CID12517746
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESO=C1c2ccccc2-c2cc(N3CCCCC3)nc3cccc1c23
InChIInChI=1S/C21H18N2O/c24-21-15-8-3-2-7-14(15)17-13-19(23-11-4-1-5-12-23)22-18-10-6-9-16(21)20(17)18/h2-3,6-10,13H,1,4-5,11-12H2
InChIKeyJYHQOXJRKHOQDK-UHFFFAOYSA-N
XLogP4.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The IUPAC name of 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (CID 12517746) is 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.
What is the SMILES notation for 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The canonical SMILES for 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is O=C1c2ccccc2-c2cc(N3CCCCC3)nc3cccc1c23.
What is the InChIKey of 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The InChIKey is JYHQOXJRKHOQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21-15-8-3-2-7-14(15)17-13-19(23-11-4-1-5-12-23)22-18-10-6-9-16(21)20(17)18/h2-3,6-10,13H,1,4-5,11-12H2.
What are the key properties of 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one has a molecular weight of 314.39 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is sourced from PubChem (CID 12517746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).