2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one

C18H27NO4 — CID 95445093

IUPAC2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCO[C@H](CC3CCCCC3)C2)cc1=O
InChIInChI=1S/C18H27NO4/c1-21-18-13-23-16(10-17(18)20)12-19-7-8-22-15(11-19)9-14-5-3-2-4-6-14/h10,13-15H,2-9,11-12H2,1H3/t15-/m1/s1
InChIKeyPXKOYXYSZNOPGB-OAHLLOKOSA-N
MW321.42 g/mol
LogP2.82
Rot. Bonds5

About 2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one

2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one (PubChem CID 95445093) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one.

Molecular Properties

Compound Name2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
PubChem CID95445093
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCO[C@H](CC3CCCCC3)C2)cc1=O
InChIInChI=1S/C18H27NO4/c1-21-18-13-23-16(10-17(18)20)12-19-7-8-22-15(11-19)9-14-5-3-2-4-6-14/h10,13-15H,2-9,11-12H2,1H3/t15-/m1/s1
InChIKeyPXKOYXYSZNOPGB-OAHLLOKOSA-N
XLogP2.82
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[2-(cyclohexylmethyl)-4-morpholinyl]methyl}-5-methoxy-4H-pyran-4-one
CID 56863756
5-methoxy-2-{[3-(3-methoxypropyl)-1-piperidinyl]carbonyl}-4H-pyran-4-one
CID 72887461
2-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
CID 95445094
5-methoxy-2-[(3S)-3-(3-methoxypropyl)piperidine-1-carbonyl]pyran-4-one
CID 97198177
5-methoxy-2-[(3R)-3-(3-methoxypropyl)piperidine-1-carbonyl]pyran-4-one
CID 97198178

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
The IUPAC name of 2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one (CID 95445093) is 2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one.
What is the SMILES notation for 2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
The canonical SMILES for 2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one is COc1coc(CN2CCO[C@H](CC3CCCCC3)C2)cc1=O.
What is the InChIKey of 2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
The InChIKey is PXKOYXYSZNOPGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27NO4/c1-21-18-13-23-16(10-17(18)20)12-19-7-8-22-15(11-19)9-14-5-3-2-4-6-14/h10,13-15H,2-9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one has a molecular weight of 321.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one is sourced from PubChem (CID 95445093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).