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

C19H19F3N2O3 — CID 126825482

IUPAC3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cccc(COc2ccc(F)cc2)c1)N1CCC(O)C(F)(F)C1
InChIInChI=1S/C19H19F3N2O3/c20-14-4-6-16(7-5-14)27-11-13-2-1-3-15(10-13)23-18(26)24-9-8-17(25)19(21,22)12-24/h1-7,10,17,25H,8-9,11-12H2,(H,23,26)
InChIKeyDFUIDHNYCGRFBR-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.64
Rot. Bonds4

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

3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 126825482) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID126825482
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cccc(COc2ccc(F)cc2)c1)N1CCC(O)C(F)(F)C1
InChIInChI=1S/C19H19F3N2O3/c20-14-4-6-16(7-5-14)27-11-13-2-1-3-15(10-13)23-18(26)24-9-8-17(25)19(21,22)12-24/h1-7,10,17,25H,8-9,11-12H2,(H,23,26)
InChIKeyDFUIDHNYCGRFBR-UHFFFAOYSA-N
XLogP3.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]-4-hydroxypiperidine-1-carboxamide
CID 136553193
(3S)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 52504309
N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide
CID 47042118
(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104603
(3aR,5R,6S,7aS)-5,6-dihydroxy-N-(3-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 72912891
N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4170516
N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 33271886
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide
CID 75393732
1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092864
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55765767
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide (CID 126825482) is 3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide is O=C(Nc1cccc(COc2ccc(F)cc2)c1)N1CCC(O)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is DFUIDHNYCGRFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-14-4-6-16(7-5-14)27-11-13-2-1-3-15(10-13)23-18(26)24-9-8-17(25)19(21,22)12-24/h1-7,10,17,25H,8-9,11-12H2,(H,23,26).
What are the key properties of 3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide?
3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[3-[(4-fluorophenoxy)methyl]phenyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 126825482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).