N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide

C18H19FN2O3 — CID 110929977

IUPACN-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCCC(O)C1
InChIInChI=1S/C18H19FN2O3/c19-13-8-9-17(24-15-6-2-1-3-7-15)16(11-13)20-18(23)21-10-4-5-14(22)12-21/h1-3,6-9,11,14,22H,4-5,10,12H2,(H,20,23)
InChIKeyPGAGYPCVJCDTGC-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.61
Rot. Bonds3

About N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide

N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 110929977) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID110929977
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCCC(O)C1
InChIInChI=1S/C18H19FN2O3/c19-13-8-9-17(24-15-6-2-1-3-7-15)16(11-13)20-18(23)21-10-4-5-14(22)12-21/h1-3,6-9,11,14,22H,4-5,10,12H2,(H,20,23)
InChIKeyPGAGYPCVJCDTGC-UHFFFAOYSA-N
XLogP3.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110929978
4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439185
N-(5-fluoro-2-phenoxyphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 71854681
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 75502909
[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 95623125
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
(3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 124741843
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide (CID 110929977) is N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide is O=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCCC(O)C1.
What is the InChIKey of N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is PGAGYPCVJCDTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-13-8-9-17(24-15-6-2-1-3-7-15)16(11-13)20-18(23)21-10-4-5-14(22)12-21/h1-3,6-9,11,14,22H,4-5,10,12H2,(H,20,23).
What are the key properties of N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 110929977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).