1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid

C21H23NO4 — CID 45433322

IUPAC1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCC(Oc1ccccc1)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C21H23NO4/c1-16(26-18-10-6-3-7-11-18)19(23)22-14-12-21(13-15-22,20(24)25)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,24,25)
InChIKeyUUUMGIOIOBZGEI-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.10
Rot. Bonds5

About 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid

1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 45433322) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID45433322
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCC(Oc1ccccc1)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C21H23NO4/c1-16(26-18-10-6-3-7-11-18)19(23)22-14-12-21(13-15-22,20(24)25)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,24,25)
InChIKeyUUUMGIOIOBZGEI-UHFFFAOYSA-N
XLogP3.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic 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

1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 62639706
1-[(2S)-2-but-3-enoxypropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 97233581
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
1-(2-benzyl-3-methylbutanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168430
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 18161263
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
1-(1,4-diazepan-1-yl)-2-phenoxypropan-1-one;hydrochloride
CID 119418324
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid (CID 45433322) is 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid is CC(Oc1ccccc1)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is UUUMGIOIOBZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-16(26-18-10-6-3-7-11-18)19(23)22-14-12-21(13-15-22,20(24)25)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,24,25).
What are the key properties of 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid?
1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 45433322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).