4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide

C18H18F2N2O3 — CID 46215367

IUPAC4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(c2cc(F)c(O)cc2O)CC1
InChIInChI=1S/C18H18F2N2O3/c19-12-2-1-3-13(8-12)21-18(25)22-6-4-11(5-7-22)14-9-15(20)17(24)10-16(14)23/h1-3,8-11,23-24H,4-7H2,(H,21,25)
InChIKeyOYKYHDDCSQAKMN-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.79
Rot. Bonds2

About 4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide

4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 46215367) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID46215367
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(c2cc(F)c(O)cc2O)CC1
InChIInChI=1S/C18H18F2N2O3/c19-12-2-1-3-13(8-12)21-18(25)22-6-4-11(5-7-22)14-9-15(20)17(24)10-16(14)23/h1-3,8-11,23-24H,4-7H2,(H,21,25)
InChIKeyOYKYHDDCSQAKMN-UHFFFAOYSA-N
XLogP3.79
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 46215367) is 4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCC(c2cc(F)c(O)cc2O)CC1.
What is the InChIKey of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is OYKYHDDCSQAKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c19-12-2-1-3-13(8-12)21-18(25)22-6-4-11(5-7-22)14-9-15(20)17(24)10-16(14)23/h1-3,8-11,23-24H,4-7H2,(H,21,25).
What are the key properties of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 3.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46215367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).