trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione

C14H22N2O4 — CID 92857454

IUPACtrans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione
SMILESO=C1C[C@H](N2CCOCC2)C(=O)C[C@@H]1N1CCOCC1
InChIInChI=1S/C14H22N2O4/c17-13-10-12(16-3-7-20-8-4-16)14(18)9-11(13)15-1-5-19-6-2-15/h11-12H,1-10H2/t11-,12-/m0/s1
InChIKeySLTSBSGSKGDHQC-RYUDHWBXSA-N
MW282.34 g/mol
LogP-0.68
Rot. Bonds2

About trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione

trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione (PubChem CID 92857454) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione.

Molecular Properties

Compound Nametrans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione
PubChem CID92857454
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametrans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione
SMILESO=C1C[C@H](N2CCOCC2)C(=O)C[C@@H]1N1CCOCC1
InChIInChI=1S/C14H22N2O4/c17-13-10-12(16-3-7-20-8-4-16)14(18)9-11(13)15-1-5-19-6-2-15/h11-12H,1-10H2/t11-,12-/m0/s1
InChIKeySLTSBSGSKGDHQC-RYUDHWBXSA-N
XLogP-0.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 11701148
CID 11701148
CID 349309
CID 349309
CID 54450820
CID 54450820
CID 92524890
CID 92524890
CID 92857455
CID 92857455

Frequently Asked Questions

What is the IUPAC name of trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione?
The IUPAC name of trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione (CID 92857454) is trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione.
What is the SMILES notation for trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione?
The canonical SMILES for trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione is O=C1C[C@H](N2CCOCC2)C(=O)C[C@@H]1N1CCOCC1.
What is the InChIKey of trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione?
The InChIKey is SLTSBSGSKGDHQC-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-13-10-12(16-3-7-20-8-4-16)14(18)9-11(13)15-1-5-19-6-2-15/h11-12H,1-10H2/t11-,12-/m0/s1.
What are the key properties of trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione?
trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione has a molecular weight of 282.34 g/mol, XLogP of -0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,5S)-2,5-dimorpholin-4-ylcyclohexane-1,4-dione is sourced from PubChem (CID 92857454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).