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

C18H27NO4 — CID 56863756

IUPAC2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCOC(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
InChIKeyPXKOYXYSZNOPGB-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.82
Rot. Bonds5

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

2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one (PubChem CID 56863756) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one.

Molecular Properties

Compound Name2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
PubChem CID56863756
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCOC(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
InChIKeyPXKOYXYSZNOPGB-UHFFFAOYSA-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

Analyze 2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-[[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methyl]pyran-4-one
CID 56899648
2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
CID 56919206
2-[[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxypyran-4-one;dihydrochloride
CID 154907368
2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-5-methoxypyran-4-one
CID 120775872
4-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide
CID 95525245
4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide
CID 95525246
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 42401886
(2R)-2-(cyclohexylmethyl)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95486281
2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]-5-methoxypyran-4-one
CID 172882389
5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one
CID 172904093
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7178427
5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one
CID 56889438

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
The IUPAC name of 2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one (CID 56863756) is 2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one.
What is the SMILES notation for 2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
The canonical SMILES for 2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one is COc1coc(CN2CCOC(CC3CCCCC3)C2)cc1=O.
What is the InChIKey of 2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
The InChIKey is PXKOYXYSZNOPGB-UHFFFAOYSA-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.
What are the key properties of 2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
2-[[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-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one is sourced from PubChem (CID 56863756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).