4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide

C19H26F4N2O2 — CID 23071977

IUPAC4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESCCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F4N2O2/c1-3-13(4-2)12-18(27)5-7-25(8-6-18)17(26)24-16-10-14(19(21,22)23)9-15(20)11-16/h9-11,13,27H,3-8,12H2,1-2H3,(H,24,26)
InChIKeyGINKVFDHXDQKPU-UHFFFAOYSA-N
MW390.42 g/mol
LogP5.03
Rot. Bonds5

About 4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide

4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 23071977) has the molecular formula C19H26F4N2O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID23071977
Molecular FormulaC19H26F4N2O2
Molecular Weight390.42 g/mol
Exact Mass390.19
IUPAC Name4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESCCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F4N2O2/c1-3-13(4-2)12-18(27)5-7-25(8-6-18)17(26)24-16-10-14(19(21,22)23)9-15(20)11-16/h9-11,13,27H,3-8,12H2,1-2H3,(H,24,26)
InChIKeyGINKVFDHXDQKPU-UHFFFAOYSA-N
XLogP5.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 118409168
4-Hydroxy-4,6,6-trimethyl-1-propyl-3-m-tolyl-tetrahydro-pyrimidin-2-one
CID 3455288
2-Methyl-1-(N-(3-trifluoromethylphenyl)carbamoyl)piperidine
CID 310447
1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-trifluoromethyl-phenyl)-urea
CID 22393474
1-(1-Acetylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 24899016
1-(1-Propionylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 49783428
1-Benzyl-1-[1-(3-methylbutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696222
1-Benzyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696274
1-(Cyclohexylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696329
1-Butyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696377
1-Benzyl-1-(1-butylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696379
1-Benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711297

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide (CID 23071977) is 4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide is CCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is GINKVFDHXDQKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F4N2O2/c1-3-13(4-2)12-18(27)5-7-25(8-6-18)17(26)24-16-10-14(19(21,22)23)9-15(20)11-16/h9-11,13,27H,3-8,12H2,1-2H3,(H,24,26).
What are the key properties of 4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 23071977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).