[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

C20H21FN2O5 — CID 55424509

IUPAC[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H21FN2O5/c1-13(18(24)22-16-5-2-4-15(21)12-16)28-20(26)14-7-9-23(10-8-14)19(25)17-6-3-11-27-17/h2-6,11-14H,7-10H2,1H3,(H,22,24)
InChIKeyQVLAJKLJHHCDRH-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.84
Rot. Bonds5

About [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 55424509) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID55424509
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H21FN2O5/c1-13(18(24)22-16-5-2-4-15(21)12-16)28-20(26)14-7-9-23(10-8-14)19(25)17-6-3-11-27-17/h2-6,11-14H,7-10H2,1H3,(H,22,24)
InChIKeyQVLAJKLJHHCDRH-UHFFFAOYSA-N
XLogP2.84
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 9307165
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46626989
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609824
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360104
[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate
CID 42938929
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738110
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836659
[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 39968800
1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225
(1-anilino-1-oxopropan-2-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320775
[1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate
CID 99823138

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 55424509) is [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is CC(OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is QVLAJKLJHHCDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-13(18(24)22-16-5-2-4-15(21)12-16)28-20(26)14-7-9-23(10-8-14)19(25)17-6-3-11-27-17/h2-6,11-14H,7-10H2,1H3,(H,22,24).
What are the key properties of [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 388.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 55424509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).