2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide

C16H22F2N2O2 — CID 25236365

IUPAC2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(C)(C)Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O2/c1-16(2,22-14-5-4-11(17)10-13(14)18)15(21)19-12-6-8-20(3)9-7-12/h4-5,10,12H,6-9H2,1-3H3,(H,19,21)
InChIKeyPQEDHQXVIOLEID-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.33
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide

2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 25236365) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID25236365
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(C)(C)Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O2/c1-16(2,22-14-5-4-11(17)10-13(14)18)15(21)19-12-6-8-20(3)9-7-12/h4-5,10,12H,6-9H2,1-3H3,(H,19,21)
InChIKeyPQEDHQXVIOLEID-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide
CID 142458000
3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402416
2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 86923726
2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 86930849
2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid
CID 114991492
2-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)sulfanylpiperidin-4-yl]-2-methylpropanamide
CID 142457823
4-[4-[[5-(2,4-difluorophenoxy)-2,2-dimethylpentanoyl]amino]piperidin-1-yl]sulfonylbenzoic acid
CID 142457500
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
CID 112836380
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)pentanamide;4-fluorobenzaldehyde
CID 142457626
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 79797253
1-(2-cyano-4-fluorophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 78894638

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 25236365) is 2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)C(C)(C)Oc2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is PQEDHQXVIOLEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-16(2,22-14-5-4-11(17)10-13(14)18)15(21)19-12-6-8-20(3)9-7-12/h4-5,10,12H,6-9H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 312.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 25236365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).