N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide

C19H21FN2O3 — CID 110929978

IUPACN-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C19H21FN2O3/c20-15-6-7-18(25-16-4-2-1-3-5-16)17(12-15)21-19(24)22-10-8-14(13-23)9-11-22/h1-7,12,14,23H,8-11,13H2,(H,21,24)
InChIKeyUXQMXFXCZLGTBZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.85
Rot. Bonds4

About N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide

N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110929978) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110929978
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C19H21FN2O3/c20-15-6-7-18(25-16-4-2-1-3-5-16)17(12-15)21-19(24)22-10-8-14(13-23)9-11-22/h1-7,12,14,23H,8-11,13H2,(H,21,24)
InChIKeyUXQMXFXCZLGTBZ-UHFFFAOYSA-N
XLogP3.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-phenoxyphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 71854681
N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 110929977
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
4-fluoro-2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 114799068
4-(hydroxymethyl)-N-[2-(2-phenylethynyl)phenyl]piperidine-1-carboxamide
CID 111566379
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 112824865

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 110929978) is N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCC(CO)CC1.
What is the InChIKey of N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is UXQMXFXCZLGTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-15-6-7-18(25-16-4-2-1-3-5-16)17(12-15)21-19(24)22-10-8-14(13-23)9-11-22/h1-7,12,14,23H,8-11,13H2,(H,21,24).
What are the key properties of N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.85, 4 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)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110929978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).