2-(4-benzoylpiperidine-1-carbonyl)benzoic acid

C20H19NO4 — CID 1438175

IUPAC2-(4-benzoylpiperidine-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H19NO4/c22-18(14-6-2-1-3-7-14)15-10-12-21(13-11-15)19(23)16-8-4-5-9-17(16)20(24)25/h1-9,15H,10-13H2,(H,24,25)
InChIKeyJLSQZICREOKKAN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid

2-(4-benzoylpiperidine-1-carbonyl)benzoic acid (PubChem CID 1438175) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(4-benzoylpiperidine-1-carbonyl)benzoic acid
PubChem CID1438175
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(4-benzoylpiperidine-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H19NO4/c22-18(14-6-2-1-3-7-14)15-10-12-21(13-11-15)19(23)16-8-4-5-9-17(16)20(24)25/h1-9,15H,10-13H2,(H,24,25)
InChIKeyJLSQZICREOKKAN-UHFFFAOYSA-N
XLogP3.12
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid?
The IUPAC name of 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid (CID 1438175) is 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid?
The InChIKey is JLSQZICREOKKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-18(14-6-2-1-3-7-14)15-10-12-21(13-11-15)19(23)16-8-4-5-9-17(16)20(24)25/h1-9,15H,10-13H2,(H,24,25).
What are the key properties of 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid?
2-(4-benzoylpiperidine-1-carbonyl)benzoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 1438175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).