1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone

C21H25F3N4O — CID 69430671

IUPAC1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone
SMILESCN(CC1CCN(C(=O)CNc2ccccc2C(F)(F)F)CC1)c1ccncc1
InChIInChI=1S/C21H25F3N4O/c1-27(17-6-10-25-11-7-17)15-16-8-12-28(13-9-16)20(29)14-26-19-5-3-2-4-18(19)21(22,23)24/h2-7,10-11,16,26H,8-9,12-15H2,1H3
InChIKeyMMCVILIACQIQGU-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.89
Rot. Bonds6

About 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone

1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone (PubChem CID 69430671) has the molecular formula C21H25F3N4O and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone.

Molecular Properties

Compound Name1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone
PubChem CID69430671
Molecular FormulaC21H25F3N4O
Molecular Weight406.45 g/mol
Exact Mass406.20
IUPAC Name1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone
SMILESCN(CC1CCN(C(=O)CNc2ccccc2C(F)(F)F)CC1)c1ccncc1
InChIInChI=1S/C21H25F3N4O/c1-27(17-6-10-25-11-7-17)15-16-8-12-28(13-9-16)20(29)14-26-19-5-3-2-4-18(19)21(22,23)24/h2-7,10-11,16,26H,8-9,12-15H2,1H3
InChIKeyMMCVILIACQIQGU-UHFFFAOYSA-N
XLogP3.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone with MolForge

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Related Compounds

1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109004921
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 71786309
1-(4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109014417
1-[4-[(N-methylanilino)methyl]piperidin-1-yl]butan-1-one
CID 141371316
2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 67480079
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109006353
1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109017301
N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 69430640
N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide
CID 171702181
2-[2-(trifluoromethyl)anilino]acetic acid
CID 21238931

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone?
The IUPAC name of 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone (CID 69430671) is 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone.
What is the SMILES notation for 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone?
The canonical SMILES for 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone is CN(CC1CCN(C(=O)CNc2ccccc2C(F)(F)F)CC1)c1ccncc1.
What is the InChIKey of 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone?
The InChIKey is MMCVILIACQIQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O/c1-27(17-6-10-25-11-7-17)15-16-8-12-28(13-9-16)20(29)14-26-19-5-3-2-4-18(19)21(22,23)24/h2-7,10-11,16,26H,8-9,12-15H2,1H3.
What are the key properties of 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone?
1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone has a molecular weight of 406.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone is sourced from PubChem (CID 69430671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).