3-(4-ethylpiperidine-1-carbonyl)benzoic acid

C15H19NO3 — CID 61421711

IUPAC3-(4-ethylpiperidine-1-carbonyl)benzoic acid
SMILESCCC1CCN(C(=O)c2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C15H19NO3/c1-2-11-6-8-16(9-7-11)14(17)12-4-3-5-13(10-12)15(18)19/h3-5,10-11H,2,6-9H2,1H3,(H,18,19)
InChIKeyAOEPOAHLWBPGKZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.65
Rot. Bonds3

About 3-(4-ethylpiperidine-1-carbonyl)benzoic acid

3-(4-ethylpiperidine-1-carbonyl)benzoic acid (PubChem CID 61421711) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(4-ethylpiperidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name3-(4-ethylpiperidine-1-carbonyl)benzoic acid
PubChem CID61421711
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(4-ethylpiperidine-1-carbonyl)benzoic acid
SMILESCCC1CCN(C(=O)c2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C15H19NO3/c1-2-11-6-8-16(9-7-11)14(17)12-4-3-5-13(10-12)15(18)19/h3-5,10-11H,2,6-9H2,1H3,(H,18,19)
InChIKeyAOEPOAHLWBPGKZ-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

(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459
[3-(3-aminoprop-1-ynyl)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 61422057
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 61440069
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid
CID 142843675
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
3-(3-ethylpyrrolidine-1-carbonyl)benzonitrile
CID 112697926
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidine-1-carbonyl)benzoic acid?
The IUPAC name of 3-(4-ethylpiperidine-1-carbonyl)benzoic acid (CID 61421711) is 3-(4-ethylpiperidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 3-(4-ethylpiperidine-1-carbonyl)benzoic acid?
The canonical SMILES for 3-(4-ethylpiperidine-1-carbonyl)benzoic acid is CCC1CCN(C(=O)c2cccc(C(=O)O)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperidine-1-carbonyl)benzoic acid?
The InChIKey is AOEPOAHLWBPGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-11-6-8-16(9-7-11)14(17)12-4-3-5-13(10-12)15(18)19/h3-5,10-11H,2,6-9H2,1H3,(H,18,19).
What are the key properties of 3-(4-ethylpiperidine-1-carbonyl)benzoic acid?
3-(4-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 3-(4-ethylpiperidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 61421711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).