methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate

C26H34N2O3 — CID 133122136

IUPACmethyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCOCC1
InChIInChI=1S/C26H34N2O3/c1-30-26(29)12-11-24-20-27(14-13-25(24)28-15-17-31-18-16-28)19-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h2-10,24-25H,11-20H2,1H3/t24-,25+/m1/s1
InChIKeyWTCPRTYJBWHMTD-RPBOFIJWSA-N
MW422.57 g/mol
LogP3.83
Rot. Bonds7

About methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate

methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate (PubChem CID 133122136) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate
PubChem CID133122136
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Namemethyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCOCC1
InChIInChI=1S/C26H34N2O3/c1-30-26(29)12-11-24-20-27(14-13-25(24)28-15-17-31-18-16-28)19-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h2-10,24-25H,11-20H2,1H3/t24-,25+/m1/s1
InChIKeyWTCPRTYJBWHMTD-RPBOFIJWSA-N
XLogP3.83
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate with MolForge

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Related Compounds

methyl 3-[(3S,4R)-1-[(2,6-difluorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 30852454
methyl 3-[(3R,4S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 133118133
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)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 26336414
3-[(3S,4R)-1-benzyl-4-morpholin-4-ylpiperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 28739752
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-[(3,5-dimethoxyphenyl)methyl]propanamide
CID 29084395
3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid
CID 118759116
3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72909440
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 29087455
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide
CID 133137901
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-(3-fluorophenyl)propanamide
CID 29216229
methyl 3-[(3S,4R)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[(3-methylphenyl)methyl]piperidin-3-yl]propanoate
CID 29209050

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate (CID 133122136) is methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate is COC(=O)CC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCOCC1.
What is the InChIKey of methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate?
The InChIKey is WTCPRTYJBWHMTD-RPBOFIJWSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-30-26(29)12-11-24-20-27(14-13-25(24)28-15-17-31-18-16-28)19-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h2-10,24-25H,11-20H2,1H3/t24-,25+/m1/s1.
What are the key properties of methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate?
methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate has a molecular weight of 422.57 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate is sourced from PubChem (CID 133122136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).