2-(piperidine-1-carbonyl)benzoic acid

C13H15NO3 — CID 30108

IUPAC2-(piperidine-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C13H15NO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,6-7H,1,4-5,8-9H2,(H,16,17)
InChIKeyBIUIFJPSZVWHIX-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.01
Rot. Bonds2

About 2-(piperidine-1-carbonyl)benzoic acid

2-(piperidine-1-carbonyl)benzoic acid (PubChem CID 30108) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(piperidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(piperidine-1-carbonyl)benzoic acid
PubChem CID30108
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(piperidine-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C13H15NO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,6-7H,1,4-5,8-9H2,(H,16,17)
InChIKeyBIUIFJPSZVWHIX-UHFFFAOYSA-N
XLogP2.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-1-carbonyl)benzoic acid?
The IUPAC name of 2-(piperidine-1-carbonyl)benzoic acid (CID 30108) is 2-(piperidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(piperidine-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(piperidine-1-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-(piperidine-1-carbonyl)benzoic acid?
The InChIKey is BIUIFJPSZVWHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,6-7H,1,4-5,8-9H2,(H,16,17).
What are the key properties of 2-(piperidine-1-carbonyl)benzoic acid?
2-(piperidine-1-carbonyl)benzoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 30108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).