4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride

C13H14F2N2O3 — CID 166385310

IUPAC4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride
SMILESO=C(Nc1ccc(O)cc1F)C1CCN(C(=O)F)CC1
InChIInChI=1S/C13H14F2N2O3/c14-10-7-9(18)1-2-11(10)16-12(19)8-3-5-17(6-4-8)13(15)20/h1-2,7-8,18H,3-6H2,(H,16,19)
InChIKeyRMMCPGCHNHUUOB-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.27
Rot. Bonds2

About 4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride

4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride (PubChem CID 166385310) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride
PubChem CID166385310
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride
SMILESO=C(Nc1ccc(O)cc1F)C1CCN(C(=O)F)CC1
InChIInChI=1S/C13H14F2N2O3/c14-10-7-9(18)1-2-11(10)16-12(19)8-3-5-17(6-4-8)13(15)20/h1-2,7-8,18H,3-6H2,(H,16,19)
InChIKeyRMMCPGCHNHUUOB-UHFFFAOYSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64787080
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008428
(3S)-3-[(2-fluoro-4-nitrophenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 174219788
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
tert-butyl 4-[(2-fluoro-4-nitrophenyl)carbamoyl]piperidine-1-carboxylate
CID 164719670
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride?
The IUPAC name of 4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride (CID 166385310) is 4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride?
The canonical SMILES for 4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride is O=C(Nc1ccc(O)cc1F)C1CCN(C(=O)F)CC1.
What is the InChIKey of 4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride?
The InChIKey is RMMCPGCHNHUUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-10-7-9(18)1-2-11(10)16-12(19)8-3-5-17(6-4-8)13(15)20/h1-2,7-8,18H,3-6H2,(H,16,19).
What are the key properties of 4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride?
4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride has a molecular weight of 284.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride is sourced from PubChem (CID 166385310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).