2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C21H25F2N3O — CID 95869695

IUPAC2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1N1CCC[C@@H](CCc2ccc(F)cc2F)C1
InChIInChI=1S/C21H25F2N3O/c1-25(2)21(27)18-6-3-11-24-20(18)26-12-4-5-15(14-26)7-8-16-9-10-17(22)13-19(16)23/h3,6,9-11,13,15H,4-5,7-8,12,14H2,1-2H3/t15-/m0/s1
InChIKeyFEIQQGSVSXMSOA-HNNXBMFYSA-N
MW373.45 g/mol
LogP3.91
Rot. Bonds5

About 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 95869695) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID95869695
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1N1CCC[C@@H](CCc2ccc(F)cc2F)C1
InChIInChI=1S/C21H25F2N3O/c1-25(2)21(27)18-6-3-11-24-20(18)26-12-4-5-15(14-26)7-8-16-9-10-17(22)13-19(16)23/h3,6,9-11,13,15H,4-5,7-8,12,14H2,1-2H3/t15-/m0/s1
InChIKeyFEIQQGSVSXMSOA-HNNXBMFYSA-N
XLogP3.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869833
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869834
2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole
CID 95866929
4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine
CID 56896230
2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]benzonitrile
CID 95532328
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
1-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-hydroxyethanone
CID 95550338
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
N-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 45235185
[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 95873638
[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 42415250
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 95869695) is 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1N1CCC[C@@H](CCc2ccc(F)cc2F)C1.
What is the InChIKey of 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is FEIQQGSVSXMSOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25F2N3O/c1-25(2)21(27)18-6-3-11-24-20(18)26-12-4-5-15(14-26)7-8-16-9-10-17(22)13-19(16)23/h3,6,9-11,13,15H,4-5,7-8,12,14H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 95869695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).