[(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

C15H26N2O3 — CID 124856634

IUPAC[(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCO1)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/t12-,13-,14+/m0/s1
InChIKeyOQABWDOZDYTCFV-MELADBBJSA-N
MW282.38 g/mol
LogP0.88
Rot. Bonds2

About [(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

[(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (PubChem CID 124856634) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is [(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
PubChem CID124856634
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name[(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCO1)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/t12-,13-,14+/m0/s1
InChIKeyOQABWDOZDYTCFV-MELADBBJSA-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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The IUPAC name of [(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (CID 124856634) is [(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.
What is the SMILES notation for [(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The canonical SMILES for [(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCO1)CC2.
What is the InChIKey of [(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The InChIKey is OQABWDOZDYTCFV-MELADBBJSA-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/t12-,13-,14+/m0/s1.
What are the key properties of [(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
[(2R)-1,4-dioxan-2-yl]-[(1S,6S)-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 [(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is sourced from PubChem (CID 124856634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).