(2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid

C18H23FN2O4 — CID 97391145

IUPAC(2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](N2CCOCC2)CCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C18H23FN2O4/c19-14-3-1-2-13(10-14)11-17(22)21-5-4-15(12-16(21)18(23)24)20-6-8-25-9-7-20/h1-3,10,15-16H,4-9,11-12H2,(H,23,24)/t15-,16+/m1/s1
InChIKeyDQAHWLLXTULHRE-CVEARBPZSA-N
MW350.39 g/mol
LogP1.14
Rot. Bonds4

About (2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid

(2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid (PubChem CID 97391145) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is (2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid
PubChem CID97391145
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name(2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](N2CCOCC2)CCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C18H23FN2O4/c19-14-3-1-2-13(10-14)11-17(22)21-5-4-15(12-16(21)18(23)24)20-6-8-25-9-7-20/h1-3,10,15-16H,4-9,11-12H2,(H,23,24)/t15-,16+/m1/s1
InChIKeyDQAHWLLXTULHRE-CVEARBPZSA-N
XLogP1.14
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155848928
1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
CID 131653797
4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 114426970
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 72523464
4-methyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114421768
1-[2-(3-fluorophenyl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169456
(2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 97468834
1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069665
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114427184
1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 114421350
1-[2-(3-chlorophenyl)acetyl]-4-ethylpiperidine-2-carboxylic acid
CID 114426986
1-(4-cyanobenzoyl)-4-morpholin-4-ylpiperidine-2-carboxylic acid
CID 134072263

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid (CID 97391145) is (2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](N2CCOCC2)CCN1C(=O)Cc1cccc(F)c1.
What is the InChIKey of (2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid?
The InChIKey is DQAHWLLXTULHRE-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-14-3-1-2-13(10-14)11-17(22)21-5-4-15(12-16(21)18(23)24)20-6-8-25-9-7-20/h1-3,10,15-16H,4-9,11-12H2,(H,23,24)/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid?
(2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid has a molecular weight of 350.39 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 97391145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).