16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one

C20H24N4O — CID 71626527

IUPAC16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
SMILESO=C1NN=C2CCCc3c2c2c1cccc2n3CCN1CCCCC1
InChIInChI=1S/C20H24N4O/c25-20-14-6-4-8-16-18(14)19-15(21-22-20)7-5-9-17(19)24(16)13-12-23-10-2-1-3-11-23/h4,6,8H,1-3,5,7,9-13H2,(H,22,25)
InChIKeyKVSHPARHGQSONL-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.91
Rot. Bonds3

About 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one

16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one (PubChem CID 71626527) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one.

Molecular Properties

Compound Name16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
PubChem CID71626527
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
SMILESO=C1NN=C2CCCc3c2c2c1cccc2n3CCN1CCCCC1
InChIInChI=1S/C20H24N4O/c25-20-14-6-4-8-16-18(14)19-15(21-22-20)7-5-9-17(19)24(16)13-12-23-10-2-1-3-11-23/h4,6,8H,1-3,5,7,9-13H2,(H,22,25)
InChIKeyKVSHPARHGQSONL-UHFFFAOYSA-N
XLogP2.91
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one?
The IUPAC name of 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one (CID 71626527) is 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one.
What is the SMILES notation for 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one?
The canonical SMILES for 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one is O=C1NN=C2CCCc3c2c2c1cccc2n3CCN1CCCCC1.
What is the InChIKey of 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one?
The InChIKey is KVSHPARHGQSONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20-14-6-4-8-16-18(14)19-15(21-22-20)7-5-9-17(19)24(16)13-12-23-10-2-1-3-11-23/h4,6,8H,1-3,5,7,9-13H2,(H,22,25).
What are the key properties of 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one?
16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one has a molecular weight of 336.44 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one is sourced from PubChem (CID 71626527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).