N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide

C18H27FN2O3 — CID 46241088

IUPACN-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide
SMILESCCC(CC)CNC(=O)N1CCC(c2cc(F)c(O)cc2O)CC1
InChIInChI=1S/C18H27FN2O3/c1-3-12(4-2)11-20-18(24)21-7-5-13(6-8-21)14-9-15(19)17(23)10-16(14)22/h9-10,12-13,22-23H,3-8,11H2,1-2H3,(H,20,24)
InChIKeyZUGXHSDLYWLJND-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.56
Rot. Bonds5

About N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide

N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide (PubChem CID 46241088) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide
PubChem CID46241088
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide
SMILESCCC(CC)CNC(=O)N1CCC(c2cc(F)c(O)cc2O)CC1
InChIInChI=1S/C18H27FN2O3/c1-3-12(4-2)11-20-18(24)21-7-5-13(6-8-21)14-9-15(19)17(23)10-16(14)22/h9-10,12-13,22-23H,3-8,11H2,1-2H3,(H,20,24)
InChIKeyZUGXHSDLYWLJND-UHFFFAOYSA-N
XLogP3.56
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide (CID 46241088) is N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide is CCC(CC)CNC(=O)N1CCC(c2cc(F)c(O)cc2O)CC1.
What is the InChIKey of N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide?
The InChIKey is ZUGXHSDLYWLJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-3-12(4-2)11-20-18(24)21-7-5-13(6-8-21)14-9-15(19)17(23)10-16(14)22/h9-10,12-13,22-23H,3-8,11H2,1-2H3,(H,20,24).
What are the key properties of N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide?
N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46241088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).