2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide

C16H23FN2O4S — CID 86923726

IUPAC2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H23FN2O4S/c1-16(2,23-14-6-4-12(17)5-7-14)15(20)18-13-8-10-19(11-9-13)24(3,21)22/h4-7,13H,8-11H2,1-3H3,(H,18,20)
InChIKeyODDLJTCLALUXJG-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.52
Rot. Bonds5

About 2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide

2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide (PubChem CID 86923726) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide
PubChem CID86923726
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H23FN2O4S/c1-16(2,23-14-6-4-12(17)5-7-14)15(20)18-13-8-10-19(11-9-13)24(3,21)22/h4-7,13H,8-11H2,1-3H3,(H,18,20)
InChIKeyODDLJTCLALUXJG-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 86930849
2-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)sulfanylpiperidin-4-yl]-2-methylpropanamide
CID 142457823
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236365
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride
CID 120587710
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 52651235
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3R,4R)-3-fluoro-1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylpropanamide
CID 142457562
4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine
CID 118566531
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
2-(4-fluorophenoxy)-N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 87011295

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide (CID 86923726) is 2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide is CC(C)(Oc1ccc(F)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is ODDLJTCLALUXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-16(2,23-14-6-4-12(17)5-7-14)15(20)18-13-8-10-19(11-9-13)24(3,21)22/h4-7,13H,8-11H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 86923726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).