1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione

C16H26N2O3 — CID 108509743

IUPAC1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
SMILESCC1(C)CC2CC(C)(CN2C(=O)C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H26N2O3/c1-15(2)8-12-9-16(3,10-15)11-18(12)14(20)13(19)17-4-6-21-7-5-17/h12H,4-11H2,1-3H3
InChIKeyLRLJKARRCUUHSS-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.27
Rot. Bonds

About 1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione

1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione (PubChem CID 108509743) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
PubChem CID108509743
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
SMILESCC1(C)CC2CC(C)(CN2C(=O)C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H26N2O3/c1-15(2)8-12-9-16(3,10-15)11-18(12)14(20)13(19)17-4-6-21-7-5-17/h12H,4-11H2,1-3H3
InChIKeyLRLJKARRCUUHSS-UHFFFAOYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 3747462
1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
CID 108520590
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
CID 108528998
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl chloride
CID 54116057
ethane;1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 145255334
N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108527470
2-amino-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7268032
(4-morpholin-4-ylsulfonylphenyl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 2320852
1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108913279
1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one
CID 98511634
N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108528980
[4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 66264840

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione?
The IUPAC name of 1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione (CID 108509743) is 1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione.
What is the SMILES notation for 1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione?
The canonical SMILES for 1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione is CC1(C)CC2CC(C)(CN2C(=O)C(=O)N2CCOCC2)C1.
What is the InChIKey of 1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione?
The InChIKey is LRLJKARRCUUHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-15(2)8-12-9-16(3,10-15)11-18(12)14(20)13(19)17-4-6-21-7-5-17/h12H,4-11H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione?
1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione has a molecular weight of 294.40 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione is sourced from PubChem (CID 108509743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).