8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane

C22H35N3O2 — CID 135332791

IUPAC8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
SMILESCOc1cccc(CCN2CCC3(CC2)CN(CC(C)C)CC2(CC2)O3)n1
InChIInChI=1S/C22H35N3O2/c1-18(2)15-25-16-21(8-9-21)27-22(17-25)10-13-24(14-11-22)12-7-19-5-4-6-20(23-19)26-3/h4-6,18H,7-17H2,1-3H3
InChIKeyVIHULQHCPWVZGX-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.99
Rot. Bonds6

About 8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane

8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane (PubChem CID 135332791) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane.

Molecular Properties

Compound Name8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
PubChem CID135332791
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
SMILESCOc1cccc(CCN2CCC3(CC2)CN(CC(C)C)CC2(CC2)O3)n1
InChIInChI=1S/C22H35N3O2/c1-18(2)15-25-16-21(8-9-21)27-22(17-25)10-13-24(14-11-22)12-7-19-5-4-6-20(23-19)26-3/h4-6,18H,7-17H2,1-3H3
InChIKeyVIHULQHCPWVZGX-UHFFFAOYSA-N
XLogP2.99
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The IUPAC name of 8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane (CID 135332791) is 8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane.
What is the SMILES notation for 8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The canonical SMILES for 8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane is COc1cccc(CCN2CCC3(CC2)CN(CC(C)C)CC2(CC2)O3)n1.
What is the InChIKey of 8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The InChIKey is VIHULQHCPWVZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-18(2)15-25-16-21(8-9-21)27-22(17-25)10-13-24(14-11-22)12-7-19-5-4-6-20(23-19)26-3/h4-6,18H,7-17H2,1-3H3.
What are the key properties of 8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane has a molecular weight of 373.54 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(6-methoxy-2-pyridinyl)ethyl]-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane is sourced from PubChem (CID 135332791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).