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

C23H22N2O2 — CID 52953210

IUPAC12-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESO=C1c2ccccc2-c2nccc3c(OCCN4CCCCC4)ccc1c23
InChIInChI=1S/C23H22N2O2/c26-23-17-7-3-2-6-16(17)22-21-18(10-11-24-22)20(9-8-19(21)23)27-15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-15H2
InChIKeyLZRZFBQWWOJNLQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.31
Rot. Bonds4

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

12-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (PubChem CID 52953210) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 12-(2-piperidin-1-ylethoxy)-16-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 Name12-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
PubChem CID52953210
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name12-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESO=C1c2ccccc2-c2nccc3c(OCCN4CCCCC4)ccc1c23
InChIInChI=1S/C23H22N2O2/c26-23-17-7-3-2-6-16(17)22-21-18(10-11-24-22)20(9-8-19(21)23)27-15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-15H2
InChIKeyLZRZFBQWWOJNLQ-UHFFFAOYSA-N
XLogP4.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-(2-piperidin-1-ylethoxy)-16-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 12-(2-piperidin-1-ylethoxy)-16-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 12-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (CID 52953210) is 12-(2-piperidin-1-ylethoxy)-16-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 12-(2-piperidin-1-ylethoxy)-16-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 12-(2-piperidin-1-ylethoxy)-16-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-c2nccc3c(OCCN4CCCCC4)ccc1c23.
What is the InChIKey of 12-(2-piperidin-1-ylethoxy)-16-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 LZRZFBQWWOJNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-23-17-7-3-2-6-16(17)22-21-18(10-11-24-22)20(9-8-19(21)23)27-15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-15H2.
What are the key properties of 12-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
12-(2-piperidin-1-ylethoxy)-16-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 358.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-piperidin-1-ylethoxy)-16-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 52953210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).