3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide

C20H21F3N2O3 — CID 136553193

IUPAC3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(COc2ccc(F)cc2)cc1)N1CCC(O)C(F)(F)C1
InChIInChI=1S/C20H21F3N2O3/c21-16-5-7-17(8-6-16)28-12-15-3-1-14(2-4-15)11-24-19(27)25-10-9-18(26)20(22,23)13-25/h1-8,18,26H,9-13H2,(H,24,27)
InChIKeyJFZMLHIAPRIYRQ-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.32
Rot. Bonds5

About 3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide

3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 136553193) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID136553193
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(COc2ccc(F)cc2)cc1)N1CCC(O)C(F)(F)C1
InChIInChI=1S/C20H21F3N2O3/c21-16-5-7-17(8-6-16)28-12-15-3-1-14(2-4-15)11-24-19(27)25-10-9-18(26)20(22,23)13-25/h1-8,18,26H,9-13H2,(H,24,27)
InChIKeyJFZMLHIAPRIYRQ-UHFFFAOYSA-N
XLogP3.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide
CID 126825482
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 50874469
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126425242
1-[(4-bromophenyl)methylsulfonyl]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxamide
CID 43907496
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122010210
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72873328
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-[(4-fluorophenyl)methyl]-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethoxy]anilino]piperidine-1-carboxamide
CID 10166207

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide (CID 136553193) is 3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide is O=C(NCc1ccc(COc2ccc(F)cc2)cc1)N1CCC(O)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is JFZMLHIAPRIYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c21-16-5-7-17(8-6-16)28-12-15-3-1-14(2-4-15)11-24-19(27)25-10-9-18(26)20(22,23)13-25/h1-8,18,26H,9-13H2,(H,24,27).
What are the key properties of 3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide?
3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 136553193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).