2-(3-ethylpiperidine-1-carbonyl)benzoic acid

C15H19NO3 — CID 43584267

IUPAC2-(3-ethylpiperidine-1-carbonyl)benzoic acid
SMILESCCC1CCCN(C(=O)c2ccccc2C(=O)O)C1
InChIInChI=1S/C15H19NO3/c1-2-11-6-5-9-16(10-11)14(17)12-7-3-4-8-13(12)15(18)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19)
InChIKeyTXIWEPYJLSBDNA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.65
Rot. Bonds3

About 2-(3-ethylpiperidine-1-carbonyl)benzoic acid

2-(3-ethylpiperidine-1-carbonyl)benzoic acid (PubChem CID 43584267) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-ethylpiperidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(3-ethylpiperidine-1-carbonyl)benzoic acid
PubChem CID43584267
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(3-ethylpiperidine-1-carbonyl)benzoic acid
SMILESCCC1CCCN(C(=O)c2ccccc2C(=O)O)C1
InChIInChI=1S/C15H19NO3/c1-2-11-6-5-9-16(10-11)14(17)12-7-3-4-8-13(12)15(18)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19)
InChIKeyTXIWEPYJLSBDNA-UHFFFAOYSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(methylsulfanylmethyl)piperidine-1-carbonyl]benzoic acid
CID 121498037
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 51096518
(3-ethylpiperidin-1-yl)-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]methanone
CID 55654983
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
(1-chloroisoquinolin-4-yl)-(3-ethylpiperidin-1-yl)methanone
CID 106765973
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103746374

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidine-1-carbonyl)benzoic acid?
The IUPAC name of 2-(3-ethylpiperidine-1-carbonyl)benzoic acid (CID 43584267) is 2-(3-ethylpiperidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(3-ethylpiperidine-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(3-ethylpiperidine-1-carbonyl)benzoic acid is CCC1CCCN(C(=O)c2ccccc2C(=O)O)C1.
What is the InChIKey of 2-(3-ethylpiperidine-1-carbonyl)benzoic acid?
The InChIKey is TXIWEPYJLSBDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-11-6-5-9-16(10-11)14(17)12-7-3-4-8-13(12)15(18)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(3-ethylpiperidine-1-carbonyl)benzoic acid?
2-(3-ethylpiperidine-1-carbonyl)benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 43584267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).