N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide

C16H22F2N2O — CID 24506608

IUPACN-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(C(C)C(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H22F2N2O/c1-10-6-11(2)9-20(8-10)12(3)16(21)19-13-4-5-14(17)15(18)7-13/h4-5,7,10-12H,6,8-9H2,1-3H3,(H,19,21)
InChIKeyLJEDEPMGWQUROI-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.27
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide

N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide (PubChem CID 24506608) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
PubChem CID24506608
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(C(C)C(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H22F2N2O/c1-10-6-11(2)9-20(8-10)12(3)16(21)19-13-4-5-14(17)15(18)7-13/h4-5,7,10-12H,6,8-9H2,1-3H3,(H,19,21)
InChIKeyLJEDEPMGWQUROI-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430814
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488
(2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430854
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223805
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 98445831
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide (CID 24506608) is N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide is CC1CC(C)CN(C(C)C(=O)Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The InChIKey is LJEDEPMGWQUROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-10-6-11(2)9-20(8-10)12(3)16(21)19-13-4-5-14(17)15(18)7-13/h4-5,7,10-12H,6,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide has a molecular weight of 296.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 24506608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).