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

C18H19FN2O3 — CID 46214377

IUPAC4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C18H19FN2O3/c19-13-2-1-3-14(10-13)20-18(24)21-8-6-12(7-9-21)16-5-4-15(22)11-17(16)23/h1-5,10-12,22-23H,6-9H2,(H,20,24)
InChIKeyVEOFCJYACUJIQM-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.65
Rot. Bonds2

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

4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 46214377) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID46214377
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C18H19FN2O3/c19-13-2-1-3-14(10-13)20-18(24)21-8-6-12(7-9-21)16-5-4-15(22)11-17(16)23/h1-5,10-12,22-23H,6-9H2,(H,20,24)
InChIKeyVEOFCJYACUJIQM-UHFFFAOYSA-N
XLogP3.65
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 46214377) is 4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCC(c2ccc(O)cc2O)CC1.
What is the InChIKey of 4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is VEOFCJYACUJIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-13-2-1-3-14(10-13)20-18(24)21-8-6-12(7-9-21)16-5-4-15(22)11-17(16)23/h1-5,10-12,22-23H,6-9H2,(H,20,24).
What are the key properties of 4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dihydroxyphenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46214377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).