3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid

C23H29NO4 — CID 67058139

IUPAC3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid
SMILESCCOC(CC(=O)O)c1ccc(OCC2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29NO4/c1-2-27-22(16-23(25)26)19-8-10-21(11-9-19)28-17-18-12-14-24(15-13-18)20-6-4-3-5-7-20/h3-11,18,22H,2,12-17H2,1H3,(H,25,26)
InChIKeyZLQWTUAMZSHWGU-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.53
Rot. Bonds9

About 3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid

3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid (PubChem CID 67058139) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid
PubChem CID67058139
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid
SMILESCCOC(CC(=O)O)c1ccc(OCC2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29NO4/c1-2-27-22(16-23(25)26)19-8-10-21(11-9-19)28-17-18-12-14-24(15-13-18)20-6-4-3-5-7-20/h3-11,18,22H,2,12-17H2,1H3,(H,25,26)
InChIKeyZLQWTUAMZSHWGU-UHFFFAOYSA-N
XLogP4.53
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butylsulfonylamino)-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoic acid
CID 18918485
methyl (3S)-3-[4-[[4-(diazirin-1-yl)cyclohexyl]methoxy]phenyl]-3-ethoxypropanoate
CID 163796448
methyl 3-amino-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate
CID 18918309
methyl (3S)-3-ethoxy-3-(4-hydroxyphenyl)propanoate;methyl (3S)-3-ethoxy-3-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]propanoate
CID 158357573
3-ethoxy-3-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]propanoic acid
CID 122185441
4-(cyclopropyloxymethyl)-1-phenylpiperidine
CID 10443904
3-[(1S)-1-[4-[4-[4-(cyclopropylmethoxy)phenyl]piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616117
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83982038
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
(3S)-3-[4-[[3-(dimethylamino)phenyl]methoxy]phenyl]-3-ethoxypropanoic acid
CID 124564505
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
(3S)-3-ethoxy-3-[4-(spiro[5.5]undec-4-en-4-ylmethoxy)phenyl]propanoic acid
CID 70836468

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid (CID 67058139) is 3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid is CCOC(CC(=O)O)c1ccc(OCC2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid?
The InChIKey is ZLQWTUAMZSHWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-2-27-22(16-23(25)26)19-8-10-21(11-9-19)28-17-18-12-14-24(15-13-18)20-6-4-3-5-7-20/h3-11,18,22H,2,12-17H2,1H3,(H,25,26).
What are the key properties of 3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid?
3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid has a molecular weight of 383.49 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-[4-[(1-phenylpiperidin-4-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 67058139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).