1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone

C15H20F2N2O — CID 62547329

IUPAC1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
SMILESCN1CCCC(N(C)CC(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H20F2N2O/c1-18-7-3-4-12(9-18)19(2)10-15(20)13-8-11(16)5-6-14(13)17/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyRSWQVJJCGOYBNN-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.17
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone

1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone (PubChem CID 62547329) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
PubChem CID62547329
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
SMILESCN1CCCC(N(C)CC(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H20F2N2O/c1-18-7-3-4-12(9-18)19(2)10-15(20)13-8-11(16)5-6-14(13)17/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyRSWQVJJCGOYBNN-UHFFFAOYSA-N
XLogP2.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547145
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547972
1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547508
1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 107520814
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 102864457
4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
CID 107458463
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 62546260
N-(2-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547439
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 55001742
4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 107902822

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone (CID 62547329) is 1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone is CN1CCCC(N(C)CC(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
The InChIKey is RSWQVJJCGOYBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-18-7-3-4-12(9-18)19(2)10-15(20)13-8-11(16)5-6-14(13)17/h5-6,8,12H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone has a molecular weight of 282.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone is sourced from PubChem (CID 62547329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).