(2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide

C15H20F2N2O — CID 118459844

IUPAC(2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1[C@@H](F)[C@@H](F)[C@H](C)CN1Cc1ccccc1
InChIInChI=1S/C15H20F2N2O/c1-10-8-19(9-11-6-4-3-5-7-11)14(15(20)18-2)13(17)12(10)16/h3-7,10,12-14H,8-9H2,1-2H3,(H,18,20)/t10-,12+,13+,14+/m1/s1
InChIKeyWWDSXJJVXZNDGK-SAXRGWBVSA-N
MW282.33 g/mol
LogP1.93
Rot. Bonds3

About (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide

(2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide (PubChem CID 118459844) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide
PubChem CID118459844
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1[C@@H](F)[C@@H](F)[C@H](C)CN1Cc1ccccc1
InChIInChI=1S/C15H20F2N2O/c1-10-8-19(9-11-6-4-3-5-7-11)14(15(20)18-2)13(17)12(10)16/h3-7,10,12-14H,8-9H2,1-2H3,(H,18,20)/t10-,12+,13+,14+/m1/s1
InChIKeyWWDSXJJVXZNDGK-SAXRGWBVSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide with MolForge

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Related Compounds

1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
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CID 123908325
(2S,3S,4S)-1-benzyl-3-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 11658718
[(2S,3S,5S)-1-benzyl-5-methyl-2-(methylcarbamoyl)piperidin-3-yl] benzoate
CID 118459842
(1R,5R,7S)-3-benzyl-N-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
CID 10332919
(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
CID 95827904
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CID 45245451
(3aR,4S,7aS)-5-benzyl-N,2,2-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
CID 90064471
1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
CID 86209046
methyl (2S,3R)-1-benzyl-3-methylpiperidine-2-carboxylate
CID 10610504
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide?
The IUPAC name of (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide (CID 118459844) is (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide?
The canonical SMILES for (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide is CNC(=O)[C@@H]1[C@@H](F)[C@@H](F)[C@H](C)CN1Cc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide?
The InChIKey is WWDSXJJVXZNDGK-SAXRGWBVSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-8-19(9-11-6-4-3-5-7-11)14(15(20)18-2)13(17)12(10)16/h3-7,10,12-14H,8-9H2,1-2H3,(H,18,20)/t10-,12+,13+,14+/m1/s1.
What are the key properties of (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide?
(2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-1-benzyl-3,4-difluoro-N,5-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 118459844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).