4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide

C19H17ClF4N2O2 — CID 23071917

IUPAC4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H17ClF4N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27)
InChIKeyAUIUQQYPUSEYDJ-UHFFFAOYSA-N
MW416.80 g/mol
LogP5.01
Rot. Bonds2

About 4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide

4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 23071917) has the molecular formula C19H17ClF4N2O2 and a molecular weight of 416.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID23071917
Molecular FormulaC19H17ClF4N2O2
Molecular Weight416.80 g/mol
Exact Mass416.09
IUPAC Name4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H17ClF4N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27)
InChIKeyAUIUQQYPUSEYDJ-UHFFFAOYSA-N
XLogP5.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide (CID 23071917) is 4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide is O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is AUIUQQYPUSEYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27).
What are the key properties of 4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 416.80 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 23071917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).