4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide

C18H17BrClFN2O2 — CID 23072100

IUPAC4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)N1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H17BrClFN2O2/c19-13-3-1-12(2-4-13)18(25)5-7-23(8-6-18)17(24)22-16-10-14(20)9-15(21)11-16/h1-4,9-11,25H,5-8H2,(H,22,24)
InChIKeyDIHQAJLIQQVILF-UHFFFAOYSA-N
MW427.70 g/mol
LogP4.76
Rot. Bonds2

About 4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide

4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 23072100) has the molecular formula C18H17BrClFN2O2 and a molecular weight of 427.70 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID23072100
Molecular FormulaC18H17BrClFN2O2
Molecular Weight427.70 g/mol
Exact Mass426.01
IUPAC Name4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)N1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H17BrClFN2O2/c19-13-3-1-12(2-4-13)18(25)5-7-23(8-6-18)17(24)22-16-10-14(20)9-15(21)11-16/h1-4,9-11,25H,5-8H2,(H,22,24)
InChIKeyDIHQAJLIQQVILF-UHFFFAOYSA-N
XLogP4.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.70
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide (CID 23072100) is 4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)N1CCC(O)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is DIHQAJLIQQVILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClFN2O2/c19-13-3-1-12(2-4-13)18(25)5-7-23(8-6-18)17(24)22-16-10-14(20)9-15(21)11-16/h1-4,9-11,25H,5-8H2,(H,22,24).
What are the key properties of 4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 427.70 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 23072100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).