7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane

C24H30N2O — CID 129069868

IUPAC7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane
SMILESc1ccc(CN2CCCC3(C2)CN(Cc2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C24H30N2O/c1-3-8-21(9-4-1)16-25-15-7-12-24(19-25)20-26(18-23(27-24)13-14-23)17-22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2
InChIKeyLWQGRINXLZXMLE-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.09
Rot. Bonds4

About 7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane

7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane (PubChem CID 129069868) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane.

Molecular Properties

Compound Name7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane
PubChem CID129069868
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane
SMILESc1ccc(CN2CCCC3(C2)CN(Cc2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C24H30N2O/c1-3-8-21(9-4-1)16-25-15-7-12-24(19-25)20-26(18-23(27-24)13-14-23)17-22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2
InChIKeyLWQGRINXLZXMLE-UHFFFAOYSA-N
XLogP4.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-[[1,1'-Biphenyl]-4,4'-diylbis(methylene)]bis(morpholine)
CID 44414519
4-[[4-[4-(Piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
4,4'-[1,4-Phenylenebis(methylene)]dimorpholine
CID 250932
4-Benzyl-2,2,6,6-tetramethylmorpholine
CID 12282999
US10421750, Example 14
CID 129053742
US10421750, Example 11
CID 129053751
2-(1-Benzylpiperidin-4-yl)-4-ethylmorpholine
CID 129053792
US10689398, Example 86
CID 129053806
US10689398, Example 19
CID 129053836
US10689398, Example 84
CID 129053873
US10689398, Example 82
CID 129069867
US10689398, Example 79
CID 129069869

Frequently Asked Questions

What is the IUPAC name of 7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
The IUPAC name of 7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane (CID 129069868) is 7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane.
What is the SMILES notation for 7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
The canonical SMILES for 7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane is c1ccc(CN2CCCC3(C2)CN(Cc2ccccc2)CC2(CC2)O3)cc1.
What is the InChIKey of 7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
The InChIKey is LWQGRINXLZXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-3-8-21(9-4-1)16-25-15-7-12-24(19-25)20-26(18-23(27-24)13-14-23)17-22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2.
What are the key properties of 7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane has a molecular weight of 362.52 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-dibenzyl-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane is sourced from PubChem (CID 129069868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).