1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone

C15H19F3N2O — CID 109006549

IUPAC1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
SMILESCC1CCCN(C(=O)CNc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3N2O/c1-11-4-3-7-20(10-11)14(21)9-19-13-6-2-5-12(8-13)15(16,17)18/h2,5-6,8,11,19H,3-4,7,9-10H2,1H3
InChIKeyHRRICAJNSFFIRY-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.38
Rot. Bonds3

About 1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone

1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone (PubChem CID 109006549) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
PubChem CID109006549
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
SMILESCC1CCCN(C(=O)CNc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3N2O/c1-11-4-3-7-20(10-11)14(21)9-19-13-6-2-5-12(8-13)15(16,17)18/h2,5-6,8,11,19H,3-4,7,9-10H2,1H3
InChIKeyHRRICAJNSFFIRY-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355
1-(3-methylpiperidin-1-yl)-2-[[4-methyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 3807983
4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
CID 56552591
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
2-(3-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140438
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone
CID 55437070
4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
CID 47123026
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
CID 56552655
2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 109006570
2-chloro-1-[(3S)-3-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 146567789
(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109240749

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone (CID 109006549) is 1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone is CC1CCCN(C(=O)CNc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone?
The InChIKey is HRRICAJNSFFIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-11-4-3-7-20(10-11)14(21)9-19-13-6-2-5-12(8-13)15(16,17)18/h2,5-6,8,11,19H,3-4,7,9-10H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone?
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone has a molecular weight of 300.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone is sourced from PubChem (CID 109006549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).