(2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide

C18H27FN2O — CID 155930418

IUPAC(2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide
SMILESCCCCN1C[C@@H](F)CC[C@H]1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H27FN2O/c1-4-5-11-21-12-15(19)9-10-16(21)18(22)20-17-13(2)7-6-8-14(17)3/h6-8,15-16H,4-5,9-12H2,1-3H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyUWICITDJFZKQFE-HOTGVXAUSA-N
MW306.43 g/mol
LogP3.84
Rot. Bonds5

About (2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide

(2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide (PubChem CID 155930418) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is (2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide
PubChem CID155930418
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name(2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide
SMILESCCCCN1C[C@@H](F)CC[C@H]1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H27FN2O/c1-4-5-11-21-12-15(19)9-10-16(21)18(22)20-17-13(2)7-6-8-14(17)3/h6-8,15-16H,4-5,9-12H2,1-3H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyUWICITDJFZKQFE-HOTGVXAUSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
[1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidin-4-yl] thiohypofluorite
CID 178083121
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
CID 66615074
1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide
CID 122503909
methyl 2-[(2S)-1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidin-4-yl]acetate
CID 156775810
(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide?
The IUPAC name of (2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide (CID 155930418) is (2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide.
What is the SMILES notation for (2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide?
The canonical SMILES for (2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide is CCCCN1C[C@@H](F)CC[C@H]1C(=O)Nc1c(C)cccc1C.
What is the InChIKey of (2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide?
The InChIKey is UWICITDJFZKQFE-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-4-5-11-21-12-15(19)9-10-16(21)18(22)20-17-13(2)7-6-8-14(17)3/h6-8,15-16H,4-5,9-12H2,1-3H3,(H,20,22)/t15-,16-/m0/s1.
What are the key properties of (2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide?
(2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-butyl-N-(2,6-dimethylphenyl)-5-fluoropiperidine-2-carboxamide is sourced from PubChem (CID 155930418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).