N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide

C21H25FN2O2 — CID 96559160

IUPACN-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
SMILESC[C@H]1C[C@H](NC(=O)COc2ccc(F)cc2)CCN1Cc1ccccc1
InChIInChI=1S/C21H25FN2O2/c1-16-13-19(11-12-24(16)14-17-5-3-2-4-6-17)23-21(25)15-26-20-9-7-18(22)8-10-20/h2-10,16,19H,11-15H2,1H3,(H,23,25)/t16-,19+/m0/s1
InChIKeyXASJHNRRHAATNU-QFBILLFUSA-N
MW356.44 g/mol
LogP3.37
Rot. Bonds6

About N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide

N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide (PubChem CID 96559160) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
PubChem CID96559160
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
SMILESC[C@H]1C[C@H](NC(=O)COc2ccc(F)cc2)CCN1Cc1ccccc1
InChIInChI=1S/C21H25FN2O2/c1-16-13-19(11-12-24(16)14-17-5-3-2-4-6-17)23-21(25)15-26-20-9-7-18(22)8-10-20/h2-10,16,19H,11-15H2,1H3,(H,23,25)/t16-,19+/m0/s1
InChIKeyXASJHNRRHAATNU-QFBILLFUSA-N
XLogP3.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 86813309
2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
CID 165351593
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
CID 131167223
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
CID 166228361
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612982
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide (CID 96559160) is N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide is C[C@H]1C[C@H](NC(=O)COc2ccc(F)cc2)CCN1Cc1ccccc1.
What is the InChIKey of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is XASJHNRRHAATNU-QFBILLFUSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-16-13-19(11-12-24(16)14-17-5-3-2-4-6-17)23-21(25)15-26-20-9-7-18(22)8-10-20/h2-10,16,19H,11-15H2,1H3,(H,23,25)/t16-,19+/m0/s1.
What are the key properties of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide?
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 356.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 96559160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).