14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one

C23H22N2O2 — CID 53231532

IUPAC14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
SMILESO=C1c2ccccc2-c2ncc(OCCN3CCCCC3)c3cccc1c23
InChIInChI=1S/C23H22N2O2/c26-23-17-8-3-2-7-16(17)22-21-18(9-6-10-19(21)23)20(15-24-22)27-14-13-25-11-4-1-5-12-25/h2-3,6-10,15H,1,4-5,11-14H2
InChIKeyHODFYJBDWOPUQK-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.31
Rot. Bonds4

About 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one

14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one (PubChem CID 53231532) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one.

Molecular Properties

Compound Name14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
PubChem CID53231532
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
SMILESO=C1c2ccccc2-c2ncc(OCCN3CCCCC3)c3cccc1c23
InChIInChI=1S/C23H22N2O2/c26-23-17-8-3-2-7-16(17)22-21-18(9-6-10-19(21)23)20(15-24-22)27-14-13-25-11-4-1-5-12-25/h2-3,6-10,15H,1,4-5,11-14H2
InChIKeyHODFYJBDWOPUQK-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 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one with MolForge

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Related Compounds

1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189484
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
4-methoxy-5-(2-piperidin-1-ylethoxy)-2-propylfluoren-9-one
CID 174392258
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one
CID 43985596
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 162165445
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308

Frequently Asked Questions

What is the IUPAC name of 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
The IUPAC name of 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one (CID 53231532) is 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one.
What is the SMILES notation for 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
The canonical SMILES for 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one is O=C1c2ccccc2-c2ncc(OCCN3CCCCC3)c3cccc1c23.
What is the InChIKey of 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
The InChIKey is HODFYJBDWOPUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-23-17-8-3-2-7-16(17)22-21-18(9-6-10-19(21)23)20(15-24-22)27-14-13-25-11-4-1-5-12-25/h2-3,6-10,15H,1,4-5,11-14H2.
What are the key properties of 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),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 14-(2-piperidin-1-ylethoxy)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one is sourced from PubChem (CID 53231532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).