2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one

C19H27NO5 — CID 97426513

IUPAC2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one
SMILESCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)C2CCCCC2)o1
InChIInChI=1S/C19H27NO5/c1-13-11-16(21)18(23)19(25-13)15(14-5-3-2-4-6-14)12-17(22)20-7-9-24-10-8-20/h11,14-15,23H,2-10,12H2,1H3/t15-/m1/s1
InChIKeyOWNABNAZXONENZ-OAHLLOKOSA-N
MW349.43 g/mol
LogP2.57
Rot. Bonds4

About 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one

2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one (PubChem CID 97426513) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one
PubChem CID97426513
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one
SMILESCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)C2CCCCC2)o1
InChIInChI=1S/C19H27NO5/c1-13-11-16(21)18(23)19(25-13)15(14-5-3-2-4-6-14)12-17(22)20-7-9-24-10-8-20/h11,14-15,23H,2-10,12H2,1H3/t15-/m1/s1
InChIKeyOWNABNAZXONENZ-OAHLLOKOSA-N
XLogP2.57
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one?
The IUPAC name of 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one (CID 97426513) is 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one.
What is the SMILES notation for 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one?
The canonical SMILES for 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one is Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)C2CCCCC2)o1.
What is the InChIKey of 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one?
The InChIKey is OWNABNAZXONENZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27NO5/c1-13-11-16(21)18(23)19(25-13)15(14-5-3-2-4-6-14)12-17(22)20-7-9-24-10-8-20/h11,14-15,23H,2-10,12H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one?
2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one has a molecular weight of 349.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-methylpyran-4-one is sourced from PubChem (CID 97426513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).