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

C17H18N2O3 — CID 45341241

IUPAC1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C17H18N2O3/c20-16(19-11-7-14(8-12-19)17(21)22)13-3-5-15(6-4-13)18-9-1-2-10-18/h1-6,9-10,14H,7-8,11-12H2,(H,21,22)
InChIKeyIDLYNTLZVMCZPC-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.41
Rot. Bonds3

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

1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid (PubChem CID 45341241) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
PubChem CID45341241
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C17H18N2O3/c20-16(19-11-7-14(8-12-19)17(21)22)13-3-5-15(6-4-13)18-9-1-2-10-18/h1-6,9-10,14H,7-8,11-12H2,(H,21,22)
InChIKeyIDLYNTLZVMCZPC-UHFFFAOYSA-N
XLogP2.41
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 110803719
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110441029
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
(3R)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125134650
(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 51663819
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122334710

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid (CID 45341241) is 1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of 1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid?
The InChIKey is IDLYNTLZVMCZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(19-11-7-14(8-12-19)17(21)22)13-3-5-15(6-4-13)18-9-1-2-10-18/h1-6,9-10,14H,7-8,11-12H2,(H,21,22).
What are the key properties of 1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid?
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 45341241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).