[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone

C18H25NO4 — CID 129486765

IUPAC[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
SMILESCOCc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C18H25NO4/c1-22-11-13-4-2-5-14(10-13)18(21)19-8-9-23-12-16(19)15-6-3-7-17(15)20/h2,4-5,10,15-17,20H,3,6-9,11-12H2,1H3/t15-,16+,17+/m0/s1
InChIKeyLUGGPOZTLAHQLW-GVDBMIGSSA-N
MW319.40 g/mol
LogP1.84
Rot. Bonds4

About [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone

[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone (PubChem CID 129486765) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
PubChem CID129486765
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
SMILESCOCc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C18H25NO4/c1-22-11-13-4-2-5-14(10-13)18(21)19-8-9-23-12-16(19)15-6-3-7-17(15)20/h2,4-5,10,15-17,20H,3,6-9,11-12H2,1H3/t15-,16+,17+/m0/s1
InChIKeyLUGGPOZTLAHQLW-GVDBMIGSSA-N
XLogP1.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone with MolForge

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Related Compounds

2-[3-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholine-4-carbonyl]phenyl]acetonitrile
CID 129346739
3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
CID 128987896
[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone
CID 128987935
2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982447
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129351779
(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987900
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129491728
(5-bromofuran-3-yl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987926
1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(4-methoxyphenyl)ethanone
CID 129486962
2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
CID 129486902
[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124956604

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone?
The IUPAC name of [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone (CID 129486765) is [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone is COCc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1.
What is the InChIKey of [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone?
The InChIKey is LUGGPOZTLAHQLW-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H25NO4/c1-22-11-13-4-2-5-14(10-13)18(21)19-8-9-23-12-16(19)15-6-3-7-17(15)20/h2,4-5,10,15-17,20H,3,6-9,11-12H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone?
[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone has a molecular weight of 319.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 129486765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).