(2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid

C24H24FN3O4 — CID 68649543

IUPAC(2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(COc2ccc(NC(=O)[C@H]3NC[C@H](F)C[C@@H]3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C24H24FN3O4/c1-14-10-15(19-4-2-3-5-21(19)27-14)13-32-18-8-6-17(7-9-18)28-23(29)22-20(24(30)31)11-16(25)12-26-22/h2-10,16,20,22,26H,11-13H2,1H3,(H,28,29)(H,30,31)/t16-,20+,22+/m1/s1
InChIKeyFPYDWJSQSWUIPE-BUVFEPMLSA-N
MW437.47 g/mol
LogP3.46
Rot. Bonds6

About (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid

(2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 68649543) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID68649543
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name(2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(COc2ccc(NC(=O)[C@H]3NC[C@H](F)C[C@@H]3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C24H24FN3O4/c1-14-10-15(19-4-2-3-5-21(19)27-14)13-32-18-8-6-17(7-9-18)28-23(29)22-20(24(30)31)11-16(25)12-26-22/h2-10,16,20,22,26H,11-13H2,1H3,(H,28,29)(H,30,31)/t16-,20+,22+/m1/s1
InChIKeyFPYDWJSQSWUIPE-BUVFEPMLSA-N
XLogP3.46
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid
CID 87976885
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
(2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 87978056
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
(3S,4R)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxylic acid
CID 68817366
(2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide
CID 87977443
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
(1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide
CID 163774291
trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 68819595
2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide
CID 10115425
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 68649543) is (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid is Cc1cc(COc2ccc(NC(=O)[C@H]3NC[C@H](F)C[C@@H]3C(=O)O)cc2)c2ccccc2n1.
What is the InChIKey of (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FPYDWJSQSWUIPE-BUVFEPMLSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-14-10-15(19-4-2-3-5-21(19)27-14)13-32-18-8-6-17(7-9-18)28-23(29)22-20(24(30)31)11-16(25)12-26-22/h2-10,16,20,22,26H,11-13H2,1H3,(H,28,29)(H,30,31)/t16-,20+,22+/m1/s1.
What are the key properties of (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid?
(2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 437.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 68649543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).