4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid

C23H22N2O3 — CID 45338237

IUPAC4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C23H22N2O3/c26-21(18-8-10-20(11-9-18)24-14-4-5-15-24)25-16-12-23(13-17-25,22(27)28)19-6-2-1-3-7-19/h1-11,14-15H,12-13,16-17H2,(H,27,28)
InChIKeyDRUBTUSBSMSABZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.74
Rot. Bonds4

About 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid

4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid (PubChem CID 45338237) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
PubChem CID45338237
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C23H22N2O3/c26-21(18-8-10-20(11-9-18)24-14-4-5-15-24)25-16-12-23(13-17-25,22(27)28)19-6-2-1-3-7-19/h1-11,14-15H,12-13,16-17H2,(H,27,28)
InChIKeyDRUBTUSBSMSABZ-UHFFFAOYSA-N
XLogP3.74
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-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

4-phenyl-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidine-4-carboxylic acid
CID 71065837
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 131704030
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 45433546
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid (CID 45338237) is 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid is O=C(c1ccc(-n2cccc2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid?
The InChIKey is DRUBTUSBSMSABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-21(18-8-10-20(11-9-18)24-14-4-5-15-24)25-16-12-23(13-17-25,22(27)28)19-6-2-1-3-7-19/h1-11,14-15H,12-13,16-17H2,(H,27,28).
What are the key properties of 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid?
4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 45338237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).