4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid

C23H23N3O3 — CID 119168463

IUPAC4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
SMILESO=C(C(c1ccccc1)n1cccn1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C23H23N3O3/c27-21(20(26-15-7-14-24-26)18-8-3-1-4-9-18)25-16-12-23(13-17-25,22(28)29)19-10-5-2-6-11-19/h1-11,14-15,20H,12-13,16-17H2,(H,28,29)
InChIKeyFUNKQIOVLMMHDU-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.12
Rot. Bonds5

About 4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid

4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid (PubChem CID 119168463) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
PubChem CID119168463
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
SMILESO=C(C(c1ccccc1)n1cccn1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C23H23N3O3/c27-21(20(26-15-7-14-24-26)18-8-3-1-4-9-18)25-16-12-23(13-17-25,22(28)29)19-10-5-2-6-11-19/h1-11,14-15,20H,12-13,16-17H2,(H,28,29)
InChIKeyFUNKQIOVLMMHDU-UHFFFAOYSA-N
XLogP3.12
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid
CID 119239723
(2S)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-phenyl-2-pyrazol-1-ylethanone
CID 94806182
1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 62639706
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404
1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433322
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
ethyl (3R)-1-[(2R)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxylate
CID 95383565
(3S)-3-phenyl-1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 125166682
1-[3-(2-fluorophenyl)-2-methylpropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168537
1-(2-benzyl-3-methylbutanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168430
methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate
CID 56540269
4-phenyl-1-prop-2-ynoylpiperidine-4-carboxylic acid
CID 54982791

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid (CID 119168463) is 4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid is O=C(C(c1ccccc1)n1cccn1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid?
The InChIKey is FUNKQIOVLMMHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21(20(26-15-7-14-24-26)18-8-3-1-4-9-18)25-16-12-23(13-17-25,22(28)29)19-10-5-2-6-11-19/h1-11,14-15,20H,12-13,16-17H2,(H,28,29).
What are the key properties of 4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid?
4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid has a molecular weight of 389.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119168463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).