3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride

C30H36ClNO4 — CID 67114927

IUPAC3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCOCCCc1ccc(OCc2ccccc2)c(C2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C30H35NO4.ClH/c32-29(33)15-21-34-20-7-10-24-13-14-28(35-23-25-8-3-1-4-9-25)27(22-24)30(16-18-31-19-17-30)26-11-5-2-6-12-26;/h1-6,8-9,11-14,22,31H,7,10,15-21,23H2,(H,32,33);1H
InChIKeyHRPFDWFSLXAZGI-UHFFFAOYSA-N
MW510.07 g/mol
LogP5.78
Rot. Bonds12

About 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride

3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride (PubChem CID 67114927) has the molecular formula C30H36ClNO4 and a molecular weight of 510.07 g/mol. Its IUPAC name is 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride
PubChem CID67114927
Molecular FormulaC30H36ClNO4
Molecular Weight510.07 g/mol
Exact Mass509.23
IUPAC Name3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCOCCCc1ccc(OCc2ccccc2)c(C2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C30H35NO4.ClH/c32-29(33)15-21-34-20-7-10-24-13-14-28(35-23-25-8-3-1-4-9-25)27(22-24)30(16-18-31-19-17-30)26-11-5-2-6-12-26;/h1-6,8-9,11-14,22,31H,7,10,15-21,23H2,(H,32,33);1H
InChIKeyHRPFDWFSLXAZGI-UHFFFAOYSA-N
XLogP5.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.07
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride 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

4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
(4-phenylpiperidin-4-yl) 5-phenylpentanoate
CID 167316142
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618412
(4S)-5-(4-phenylmethoxyphenyl)-4-[3-(3-phenylpropoxy)propanoylamino]pentanoic acid
CID 58929433
1-[3,4-bis(phenylmethoxy)phenyl]-6-hydroxyhexan-3-one
CID 157495437
4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride
CID 18623234
3-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenoxy]-4-phenylmethoxyphenyl]propanoic acid
CID 24823856
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride?
The IUPAC name of 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride (CID 67114927) is 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride?
The canonical SMILES for 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride is Cl.O=C(O)CCOCCCc1ccc(OCc2ccccc2)c(C2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride?
The InChIKey is HRPFDWFSLXAZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO4.ClH/c32-29(33)15-21-34-20-7-10-24-13-14-28(35-23-25-8-3-1-4-9-25)27(22-24)30(16-18-31-19-17-30)26-11-5-2-6-12-26;/h1-6,8-9,11-14,22,31H,7,10,15-21,23H2,(H,32,33);1H.
What are the key properties of 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride?
3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride has a molecular weight of 510.07 g/mol, XLogP of 5.78, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-phenylmethoxy-3-(4-phenylpiperidin-4-yl)phenyl]propoxy]propanoic acid;hydrochloride is sourced from PubChem (CID 67114927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).