[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate

C18H23FN2O4 — CID 55818084

IUPAC[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OC(C)C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C18H23FN2O4/c1-3-16(22)21-10-6-7-13(11-21)18(24)25-12(2)17(23)20-15-9-5-4-8-14(15)19/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,20,23)
InChIKeyDGPKDGGHTHBACB-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.34
Rot. Bonds5

About [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate (PubChem CID 55818084) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate
PubChem CID55818084
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OC(C)C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C18H23FN2O4/c1-3-16(22)21-10-6-7-13(11-21)18(24)25-12(2)17(23)20-15-9-5-4-8-14(15)19/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,20,23)
InChIKeyDGPKDGGHTHBACB-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 1-propanoylpiperidine-3-carboxylate
CID 55994853
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate
CID 41308558
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697628
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697623
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate
CID 94406897
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (3S)-1-propanoylpiperidine-3-carboxylate
CID 51962024
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (3R)-1-propanoylpiperidine-3-carboxylate
CID 51962025
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide
CID 111451571
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 25487545
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
[1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 154754678

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate?
The IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate (CID 55818084) is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate is CCC(=O)N1CCCC(C(=O)OC(C)C(=O)Nc2ccccc2F)C1.
What is the InChIKey of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate?
The InChIKey is DGPKDGGHTHBACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-3-16(22)21-10-6-7-13(11-21)18(24)25-12(2)17(23)20-15-9-5-4-8-14(15)19/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,20,23).
What are the key properties of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate?
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate has a molecular weight of 350.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 55818084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).