methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate

C22H34N2O5 — CID 133118133

IUPACmethyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
SMILESCCOc1cc(CN2CC[C@H](N3CCOCC3)[C@H](CCC(=O)OC)C2)ccc1O
InChIInChI=1S/C22H34N2O5/c1-3-29-21-14-17(4-6-20(21)25)15-23-9-8-19(24-10-12-28-13-11-24)18(16-23)5-7-22(26)27-2/h4,6,14,18-19,25H,3,5,7-13,15-16H2,1-2H3/t18-,19+/m1/s1
InChIKeyUEERLYDYUAICBS-MOPGFXCFSA-N
MW406.52 g/mol
LogP2.27
Rot. Bonds8

About methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate

methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate (PubChem CID 133118133) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
PubChem CID133118133
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC Namemethyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
SMILESCCOc1cc(CN2CC[C@H](N3CCOCC3)[C@H](CCC(=O)OC)C2)ccc1O
InChIInChI=1S/C22H34N2O5/c1-3-29-21-14-17(4-6-20(21)25)15-23-9-8-19(24-10-12-28-13-11-24)18(16-23)5-7-22(26)27-2/h4,6,14,18-19,25H,3,5,7-13,15-16H2,1-2H3/t18-,19+/m1/s1
InChIKeyUEERLYDYUAICBS-MOPGFXCFSA-N
XLogP2.27
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate with MolForge

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Related Compounds

methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate
CID 133122136
methyl 3-[(3S,4R)-1-[(2,6-difluorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 30852454
methyl 3-[(3S,4R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-3-yl]propanoate
CID 45236041
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-[(3,5-dimethoxyphenyl)methyl]propanamide
CID 29084395
methyl 3-[(3R,4S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 133125196
methyl 3-[(3S,4R)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[(3-methylphenyl)methyl]piperidin-3-yl]propanoate
CID 29209050
2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106590288
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]propanamide
CID 118756801
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 29087455
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
N-butyl-N-methyl-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
CID 126462480

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate (CID 133118133) is methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate is CCOc1cc(CN2CC[C@H](N3CCOCC3)[C@H](CCC(=O)OC)C2)ccc1O.
What is the InChIKey of methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate?
The InChIKey is UEERLYDYUAICBS-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-3-29-21-14-17(4-6-20(21)25)15-23-9-8-19(24-10-12-28-13-11-24)18(16-23)5-7-22(26)27-2/h4,6,14,18-19,25H,3,5,7-13,15-16H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate?
methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate has a molecular weight of 406.52 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate is sourced from PubChem (CID 133118133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).