1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid

C18H23FN2O4S — CID 22615646

IUPAC1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid
SMILESCc1cc(C2=CCN(S(=O)(=O)N3CCCCC3C(=O)O)CC2)ccc1F
InChIInChI=1S/C18H23FN2O4S/c1-13-12-15(5-6-16(13)19)14-7-10-20(11-8-14)26(24,25)21-9-3-2-4-17(21)18(22)23/h5-7,12,17H,2-4,8-11H2,1H3,(H,22,23)
InChIKeyKRAGHFLTVIWIQP-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.41
Rot. Bonds4

About 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid

1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid (PubChem CID 22615646) has the molecular formula C18H23FN2O4S and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid
PubChem CID22615646
Molecular FormulaC18H23FN2O4S
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Name1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid
SMILESCc1cc(C2=CCN(S(=O)(=O)N3CCCCC3C(=O)O)CC2)ccc1F
InChIInChI=1S/C18H23FN2O4S/c1-13-12-15(5-6-16(13)19)14-7-10-20(11-8-14)26(24,25)21-9-3-2-4-17(21)18(22)23/h5-7,12,17H,2-4,8-11H2,1H3,(H,22,23)
InChIKeyKRAGHFLTVIWIQP-UHFFFAOYSA-N
XLogP2.41
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

1-(3-Methylbenzyl)piperidine-2-carboxylic acid
CID 4675750
1-[Bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 5033095
(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid
CID 18396079
(2R)-1-[[4-(3-chloro-4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid
CID 18727125
(2R)-1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid
CID 18727128
(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-3-methylbutanoic acid
CID 18727133
(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-4-methylpentanoic acid
CID 18727134
(2R)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-3-methylbutanoic acid
CID 21971730
2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid
CID 22132281
2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-3-methylbutanoic acid
CID 22615513
1-[[4-(3-chloro-4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid
CID 22615693
2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-4-methylpentanoic acid
CID 22615697

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid (CID 22615646) is 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid is Cc1cc(C2=CCN(S(=O)(=O)N3CCCCC3C(=O)O)CC2)ccc1F.
What is the InChIKey of 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid?
The InChIKey is KRAGHFLTVIWIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4S/c1-13-12-15(5-6-16(13)19)14-7-10-20(11-8-14)26(24,25)21-9-3-2-4-17(21)18(22)23/h5-7,12,17H,2-4,8-11H2,1H3,(H,22,23).
What are the key properties of 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid?
1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 22615646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).