ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate

C24H31NO3 — CID 54512257

IUPACethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCCCC1OCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H31NO3/c1-3-27-24(26)15-17-25-16-5-4-6-23(25)28-18-20-9-13-22(14-10-20)21-11-7-19(2)8-12-21/h7-14,23H,3-6,15-18H2,1-2H3
InChIKeyYJYNNKGAEHSWDP-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.94
Rot. Bonds8

About ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate

ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate (PubChem CID 54512257) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate
PubChem CID54512257
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Nameethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCCCC1OCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H31NO3/c1-3-27-24(26)15-17-25-16-5-4-6-23(25)28-18-20-9-13-22(14-10-20)21-11-7-19(2)8-12-21/h7-14,23H,3-6,15-18H2,1-2H3
InChIKeyYJYNNKGAEHSWDP-UHFFFAOYSA-N
XLogP4.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate 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

ethyl 6-[2-[[4-(4-methoxyphenyl)phenyl]methoxy]piperidin-1-yl]hexanoate
CID 54367483
ethyl 4-[(2S)-2-[[4-(4-chlorophenyl)-2-pyridinyl]methoxy]piperidin-1-yl]butanoate
CID 142706801
2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid
CID 91418373
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
ethyl 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanoate
CID 78989273
3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 84755346
ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate
CID 58861501
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl 1-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate
CID 4269338
methyl 2-[4-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperidin-1-yl]acetate
CID 126675410
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate (CID 54512257) is ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate is CCOC(=O)CCN1CCCCC1OCc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate?
The InChIKey is YJYNNKGAEHSWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-3-27-24(26)15-17-25-16-5-4-6-23(25)28-18-20-9-13-22(14-10-20)21-11-7-19(2)8-12-21/h7-14,23H,3-6,15-18H2,1-2H3.
What are the key properties of ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate?
ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate has a molecular weight of 381.52 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate is sourced from PubChem (CID 54512257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).