2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid

C20H22N2O3 — CID 166237312

IUPAC2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-19(24)18-9-5-4-8-17(18)16-10-12-22(13-11-16)20(25)21-14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,25)(H,23,24)
InChIKeyZATFQCGNRILIAO-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.47
Rot. Bonds4

About 2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid

2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid (PubChem CID 166237312) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid
PubChem CID166237312
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-19(24)18-9-5-4-8-17(18)16-10-12-22(13-11-16)20(25)21-14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,25)(H,23,24)
InChIKeyZATFQCGNRILIAO-UHFFFAOYSA-N
XLogP3.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
2-[1-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl]piperidin-4-yl]benzoic acid
CID 136547999
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-7-(2-chlorophenyl)-1,4-thiazepane-4-carboxamide
CID 90629887
N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 24664708
N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide
CID 110405406
2-(1-hydroxypiperidin-4-yl)benzoic acid
CID 19784857
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 107654135

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid?
The IUPAC name of 2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid (CID 166237312) is 2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid.
What is the SMILES notation for 2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid?
The canonical SMILES for 2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid is O=C(O)c1ccccc1C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid?
The InChIKey is ZATFQCGNRILIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(24)18-9-5-4-8-17(18)16-10-12-22(13-11-16)20(25)21-14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,25)(H,23,24).
What are the key properties of 2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid?
2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid has a molecular weight of 338.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid is sourced from PubChem (CID 166237312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).