2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid

C15H19FN2O3 — CID 81498187

IUPAC2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid
SMILESCC1CCCN(C(=O)Nc2c(F)cccc2C(=O)O)C1C
InChIInChI=1S/C15H19FN2O3/c1-9-5-4-8-18(10(9)2)15(21)17-13-11(14(19)20)6-3-7-12(13)16/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBHMFJBDNGJZNTR-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.18
Rot. Bonds2

About 2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid

2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid (PubChem CID 81498187) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid
PubChem CID81498187
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid
SMILESCC1CCCN(C(=O)Nc2c(F)cccc2C(=O)O)C1C
InChIInChI=1S/C15H19FN2O3/c1-9-5-4-8-18(10(9)2)15(21)17-13-11(14(19)20)6-3-7-12(13)16/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBHMFJBDNGJZNTR-UHFFFAOYSA-N
XLogP3.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-[(2-methylazepane-1-carbonyl)amino]benzoic acid
CID 81499089
3-fluoro-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 81497850
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934
(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 62659970
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
4-chloro-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123101
2-chloro-5-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123451
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-fluorobenzoic acid
CID 81497654
3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 81498008
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid (CID 81498187) is 2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid is CC1CCCN(C(=O)Nc2c(F)cccc2C(=O)O)C1C.
What is the InChIKey of 2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid?
The InChIKey is BHMFJBDNGJZNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-5-4-8-18(10(9)2)15(21)17-13-11(14(19)20)6-3-7-12(13)16/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid?
2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid has a molecular weight of 294.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 81498187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).