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

C20H29NO6 — CID 97496655

IUPAC2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one
SMILESCOCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)C2CCCCC2)o1
InChIInChI=1S/C20H29NO6/c1-25-13-15-11-17(22)19(24)20(27-15)16(14-5-3-2-4-6-14)12-18(23)21-7-9-26-10-8-21/h11,14,16,24H,2-10,12-13H2,1H3/t16-/m1/s1
InChIKeyUINFMCRSGNIRRE-MRXNPFEDSA-N
MW379.45 g/mol
LogP2.40
Rot. Bonds6

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

2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one (PubChem CID 97496655) has the molecular formula C20H29NO6 and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one.

Molecular Properties

Compound Name2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one
PubChem CID97496655
Molecular FormulaC20H29NO6
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Name2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one
SMILESCOCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)C2CCCCC2)o1
InChIInChI=1S/C20H29NO6/c1-25-13-15-11-17(22)19(24)20(27-15)16(14-5-3-2-4-6-14)12-18(23)21-7-9-26-10-8-21/h11,14,16,24H,2-10,12-13H2,1H3/t16-/m1/s1
InChIKeyUINFMCRSGNIRRE-MRXNPFEDSA-N
XLogP2.40
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(methoxymethyl)pyran-4-one?
The IUPAC name of 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one (CID 97496655) is 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one.
What is the SMILES notation for 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one?
The canonical SMILES for 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one is COCc1cc(=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-(methoxymethyl)pyran-4-one?
The InChIKey is UINFMCRSGNIRRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29NO6/c1-25-13-15-11-17(22)19(24)20(27-15)16(14-5-3-2-4-6-14)12-18(23)21-7-9-26-10-8-21/h11,14,16,24H,2-10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one?
2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one has a molecular weight of 379.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(methoxymethyl)pyran-4-one is sourced from PubChem (CID 97496655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).