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

C15H20F2N2O — CID 46630906

IUPACN-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C15H20F2N2O/c1-10-4-3-7-19(9-10)11(2)15(20)18-14-8-12(16)5-6-13(14)17/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,20)
InChIKeySKLNPQPECYEAFH-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.02
Rot. Bonds3

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

N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide (PubChem CID 46630906) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
PubChem CID46630906
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C15H20F2N2O/c1-10-4-3-7-19(9-10)11(2)15(20)18-14-8-12(16)5-6-13(14)17/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,20)
InChIKeySKLNPQPECYEAFH-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 42911884
N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46630533
1-[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119905072
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606
(2R)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521154
(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521152
N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
CID 63622745
N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 71930629
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580
N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903638

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide (CID 46630906) is N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide is CC1CCCN(C(C)C(=O)Nc2cc(F)ccc2F)C1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is SKLNPQPECYEAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-4-3-7-19(9-10)11(2)15(20)18-14-8-12(16)5-6-13(14)17/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide has a molecular weight of 282.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 46630906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).