4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid

C22H25NO4 — CID 119168410

IUPAC4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(COCCc1ccccc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C22H25NO4/c24-20(17-27-16-11-18-7-3-1-4-8-18)23-14-12-22(13-15-23,21(25)26)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,25,26)
InChIKeyDEBHLTHPOYZEKN-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.89
Rot. Bonds7

About 4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid

4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 119168410) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid
PubChem CID119168410
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(COCCc1ccccc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C22H25NO4/c24-20(17-27-16-11-18-7-3-1-4-8-18)23-14-12-22(13-15-23,21(25)26)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,25,26)
InChIKeyDEBHLTHPOYZEKN-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168313
1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433455
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]-4-phenylpiperidine-4-carboxylic acid
CID 124693096
4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide
CID 142821488
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenylethoxy)ethanone;hydrochloride
CID 119486723
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512865
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 75405301
4-(2-phenylethoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 87010718

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid (CID 119168410) is 4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid is O=C(COCCc1ccccc1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is DEBHLTHPOYZEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c24-20(17-27-16-11-18-7-3-1-4-8-18)23-14-12-22(13-15-23,21(25)26)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,25,26).
What are the key properties of 4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid?
4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119168410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).