3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one

C28H48N2O6 — CID 160921815

IUPAC3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one
SMILESCN1C(C)(C)CC(=O)CC1(C)C.O=C1CC2(CCOCC2)NC2(CCOCC2)C1.O=C1CCOCC1
InChIInChI=1S/C13H21NO3.C10H19NO.C5H8O2/c15-11-9-12(1-5-16-6-2-12)14-13(10-11)3-7-17-8-4-13;1-9(2)6-8(12)7-10(3,4)11(9)5;6-5-1-3-7-4-2-5/h14H,1-10H2;6-7H2,1-5H3;1-4H2
InChIKeySSDBXKVWMRTGIE-UHFFFAOYSA-N
MW508.70 g/mol
LogP3.24
Rot. Bonds

About 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one

3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one (PubChem CID 160921815) has the molecular formula C28H48N2O6 and a molecular weight of 508.70 g/mol. Its IUPAC name is 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one.

Molecular Properties

Compound Name3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one
PubChem CID160921815
Molecular FormulaC28H48N2O6
Molecular Weight508.70 g/mol
Exact Mass508.35
IUPAC Name3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one
SMILESCN1C(C)(C)CC(=O)CC1(C)C.O=C1CC2(CCOCC2)NC2(CCOCC2)C1.O=C1CCOCC1
InChIInChI=1S/C13H21NO3.C10H19NO.C5H8O2/c15-11-9-12(1-5-16-6-2-12)14-13(10-11)3-7-17-8-4-13;1-9(2)6-8(12)7-10(3,4)11(9)5;6-5-1-3-7-4-2-5/h14H,1-10H2;6-7H2,1-5H3;1-4H2
InChIKeySSDBXKVWMRTGIE-UHFFFAOYSA-N
XLogP3.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-oxaspiro[3.5]nonan-2-one
CID 67451909
1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 13449492
9-oxa-1-azaspiro[5.5]undecan-3-one
CID 155894731
2,2-dimethyl-1-azaspiro[5.5]undecan-4-one
CID 14961667
7-oxa-1-azaspiro[4.4]nonan-3-one
CID 115011406
6-methyl-2-oxa-6-azaspiro[4.5]decan-9-one
CID 131616804
Tempone
CID 520789
9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione
CID 170903891
1-methoxy-2,2-dimethylpiperidin-4-one
CID 143602742
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1,2,2,6,6-pentamethylpiperidin-4-one)
CID 173026071
4,4,6,6-tetramethyl-1,5-oxazocane
CID 59421161
8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 115023776

Frequently Asked Questions

What is the IUPAC name of 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one?
The IUPAC name of 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one (CID 160921815) is 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one.
What is the SMILES notation for 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one?
The canonical SMILES for 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one is CN1C(C)(C)CC(=O)CC1(C)C.O=C1CC2(CCOCC2)NC2(CCOCC2)C1.O=C1CCOCC1.
What is the InChIKey of 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one?
The InChIKey is SSDBXKVWMRTGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3.C10H19NO.C5H8O2/c15-11-9-12(1-5-16-6-2-12)14-13(10-11)3-7-17-8-4-13;1-9(2)6-8(12)7-10(3,4)11(9)5;6-5-1-3-7-4-2-5/h14H,1-10H2;6-7H2,1-5H3;1-4H2.
What are the key properties of 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one?
3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one has a molecular weight of 508.70 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one is sourced from PubChem (CID 160921815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).