1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C15H26N2O3 — CID 71868728

IUPAC1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC(C)N1C2CCC1CN(C(=O)C1COCCO1)CC2
InChIInChI=1S/C15H26N2O3/c1-11(2)17-12-3-4-13(17)9-16(6-5-12)15(18)14-10-19-7-8-20-14/h11-14H,3-10H2,1-2H3
InChIKeyOQABWDOZDYTCFV-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.88
Rot. Bonds2

About 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 71868728) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID71868728
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC(C)N1C2CCC1CN(C(=O)C1COCCO1)CC2
InChIInChI=1S/C15H26N2O3/c1-11(2)17-12-3-4-13(17)9-16(6-5-12)15(18)14-10-19-7-8-20-14/h11-14H,3-10H2,1-2H3
InChIKeyOQABWDOZDYTCFV-UHFFFAOYSA-N
XLogP0.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone with MolForge

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Related Compounds

[(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124856634
1-(1,4-dioxane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031794
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114802188
(2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 120873000
[3-(2-bromoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114801433
(3S)-1-(1,4-dioxane-2-carbonyl)piperidine-3-carboxylic acid
CID 81125447
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylmorpholin-2-yl)methanone
CID 71983879
[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 98346719
[3-(chloromethyl)piperidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 63393242
1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70209663
[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone
CID 81211074
2-[4-(1,4-dioxane-2-carbonyl)piperazin-1-yl]propanethioamide
CID 63340503

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 71868728) is 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is CC(C)N1C2CCC1CN(C(=O)C1COCCO1)CC2.
What is the InChIKey of 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is OQABWDOZDYTCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)17-12-3-4-13(17)9-16(6-5-12)15(18)14-10-19-7-8-20-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 282.38 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 71868728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).