3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid

C29H32N2O4 — CID 58748865

IUPAC3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C29H32N2O4/c32-28(30-27(29(33)34)21-22-7-3-1-4-8-22)25-11-9-23(10-12-25)24-13-15-26(16-14-24)35-20-19-31-17-5-2-6-18-31/h1,3-4,7-16,27H,2,5-6,17-21H2,(H,30,32)(H,33,34)
InChIKeyGCEZALMOLPHGBJ-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.64
Rot. Bonds10

About 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid

3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid (PubChem CID 58748865) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid
PubChem CID58748865
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C29H32N2O4/c32-28(30-27(29(33)34)21-22-7-3-1-4-8-22)25-11-9-23(10-12-25)24-13-15-26(16-14-24)35-20-19-31-17-5-2-6-18-31/h1,3-4,7-16,27H,2,5-6,17-21H2,(H,30,32)(H,33,34)
InChIKeyGCEZALMOLPHGBJ-UHFFFAOYSA-N
XLogP4.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid 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

3-phenyl-2-[[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]benzoyl]amino]propanoic acid
CID 58748832
N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide
CID 11950190
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2-[[3-phenyl-2-[[3-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]propanoyl]amino]propanoic acid
CID 77473540
N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
CID 24838842
(2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid
CID 54418063
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid;hydrochloride
CID 169283291
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
CID 58677474
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid?
The IUPAC name of 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid (CID 58748865) is 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid is O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid?
The InChIKey is GCEZALMOLPHGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c32-28(30-27(29(33)34)21-22-7-3-1-4-8-22)25-11-9-23(10-12-25)24-13-15-26(16-14-24)35-20-19-31-17-5-2-6-18-31/h1,3-4,7-16,27H,2,5-6,17-21H2,(H,30,32)(H,33,34).
What are the key properties of 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid?
3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid has a molecular weight of 472.59 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 58748865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).