3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid

C15H19FN2O3 — CID 114428301

IUPAC3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid
SMILESCCC1CCNC(C(=O)Nc2cc(C(=O)O)ccc2F)C1
InChIInChI=1S/C15H19FN2O3/c1-2-9-5-6-17-13(7-9)14(19)18-12-8-10(15(20)21)3-4-11(12)16/h3-4,8-9,13,17H,2,5-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyDYGNWJRVOWRUNM-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.24
Rot. Bonds4

About 3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid

3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid (PubChem CID 114428301) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid
PubChem CID114428301
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid
SMILESCCC1CCNC(C(=O)Nc2cc(C(=O)O)ccc2F)C1
InChIInChI=1S/C15H19FN2O3/c1-2-9-5-6-17-13(7-9)14(19)18-12-8-10(15(20)21)3-4-11(12)16/h3-4,8-9,13,17H,2,5-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyDYGNWJRVOWRUNM-UHFFFAOYSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide
CID 114428072
4-ethyl-N-(3-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 114428836
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
N-(2,6-difluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428002
N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114429344
4-bromo-2-[(4-ethylpiperidine-2-carbonyl)amino]benzoic acid
CID 114428674
2-[(4-ethylpiperidine-2-carbonyl)amino]-5-iodobenzoic acid
CID 114428983
5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 114428994
N-(2-ethoxy-4-fluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428305
4-ethyl-N-(3-fluoro-4-methoxyphenyl)piperidine-2-carboxamide
CID 114428053
N-(2,3-dimethylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427932
5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 114429036

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid (CID 114428301) is 3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid is CCC1CCNC(C(=O)Nc2cc(C(=O)O)ccc2F)C1.
What is the InChIKey of 3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid?
The InChIKey is DYGNWJRVOWRUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-9-5-6-17-13(7-9)14(19)18-12-8-10(15(20)21)3-4-11(12)16/h3-4,8-9,13,17H,2,5-7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid?
3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 114428301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).