(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide

C21H24F2N2O — CID 9430606

IUPAC(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H24F2N2O/c1-15(21(26)24-20-8-7-18(22)14-19(20)23)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3,(H,24,26)/t15-/m0/s1
InChIKeyFAXQGIQHTJTXEN-HNNXBMFYSA-N
MW358.43 g/mol
LogP4.25
Rot. Bonds5

About (2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide

(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide (PubChem CID 9430606) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is (2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
PubChem CID9430606
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC Name(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H24F2N2O/c1-15(21(26)24-20-8-7-18(22)14-19(20)23)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3,(H,24,26)/t15-/m0/s1
InChIKeyFAXQGIQHTJTXEN-HNNXBMFYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 17487365
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86914703
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-yl)propanamide;dihydrochloride
CID 119618488
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 119038879
(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495119

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide (CID 9430606) is (2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide is C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is FAXQGIQHTJTXEN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-15(21(26)24-20-8-7-18(22)14-19(20)23)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3,(H,24,26)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide?
(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 358.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 9430606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).