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

C15H19F3N2O — CID 109006548

IUPAC1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
SMILESCC1CCCN(C(=O)CNc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O/c1-11-5-4-8-20(10-11)14(21)9-19-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,11,19H,4-5,8-10H2,1H3
InChIKeyDAWYPZDNKCGTCT-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.38
Rot. Bonds3

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

1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone (PubChem CID 109006548) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
PubChem CID109006548
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
SMILESCC1CCCN(C(=O)CNc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O/c1-11-5-4-8-20(10-11)14(21)9-19-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,11,19H,4-5,8-10H2,1H3
InChIKeyDAWYPZDNKCGTCT-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

2-(2-iodoanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 55434759
2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43037378
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 55345437
methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
CID 109006552
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 94631571
4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109150093
1-(4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109014417
4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 55898345
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone
CID 55437070

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone (CID 109006548) is 1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone is CC1CCCN(C(=O)CNc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone?
The InChIKey is DAWYPZDNKCGTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-11-5-4-8-20(10-11)14(21)9-19-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,11,19H,4-5,8-10H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone?
1-(3-methylpiperidin-1-yl)-2-[2-(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-[2-(trifluoromethyl)anilino]ethanone is sourced from PubChem (CID 109006548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).