5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one

C15H20F2N2O2 — CID 115529120

IUPAC5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1C(=O)CCC(N)C1c1cccc(C(F)F)c1
InChIInChI=1S/C15H20F2N2O2/c1-21-8-7-19-13(20)6-5-12(18)14(19)10-3-2-4-11(9-10)15(16)17/h2-4,9,12,14-15H,5-8,18H2,1H3
InChIKeyKWQZQZQWQYXKBZ-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.26
Rot. Bonds5

About 5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one

5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 115529120) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one
PubChem CID115529120
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1C(=O)CCC(N)C1c1cccc(C(F)F)c1
InChIInChI=1S/C15H20F2N2O2/c1-21-8-7-19-13(20)6-5-12(18)14(19)10-3-2-4-11(9-10)15(16)17/h2-4,9,12,14-15H,5-8,18H2,1H3
InChIKeyKWQZQZQWQYXKBZ-UHFFFAOYSA-N
XLogP2.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
CID 82193447
5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one
CID 79973429
5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 114554528
2-[3-(difluoromethyl)phenyl]-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 115528867
5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one
CID 79978123
5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one
CID 82193456
[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
CID 113329185
4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 106534355
(4R,5S)-4-amino-5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95359023
(2S,3R)-2-(3-fluorophenyl)-1-(3-methoxypropyl)-6-oxopiperidine-3-carboxylic acid
CID 95291406
2-(3-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 56827365
N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 115528974

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of 5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one (CID 115529120) is 5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for 5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for 5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one is COCCN1C(=O)CCC(N)C1c1cccc(C(F)F)c1.
What is the InChIKey of 5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is KWQZQZQWQYXKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-21-8-7-19-13(20)6-5-12(18)14(19)10-3-2-4-11(9-10)15(16)17/h2-4,9,12,14-15H,5-8,18H2,1H3.
What are the key properties of 5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one?
5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 298.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 115529120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).