8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

C18H23FN2O2 — CID 135374726

IUPAC8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCN1CC2(CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C18H23FN2O2/c1-20-13-17(23-18(6-7-18)16(20)22)8-10-21(11-9-17)12-14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3
InChIKeyLXQXEHMARONDLL-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.18
Rot. Bonds2

About 8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 135374726) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID135374726
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCN1CC2(CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C18H23FN2O2/c1-20-13-17(23-18(6-7-18)16(20)22)8-10-21(11-9-17)12-14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3
InChIKeyLXQXEHMARONDLL-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (CID 135374726) is 8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is CN1CC2(CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is LXQXEHMARONDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-20-13-17(23-18(6-7-18)16(20)22)8-10-21(11-9-17)12-14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 318.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 135374726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).