(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone

C19H20F3N3O — CID 109205195

IUPAC(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cc(Nc3cccc(C(F)(F)F)c3)ccn2)CC1
InChIInChI=1S/C19H20F3N3O/c1-13-6-9-25(10-7-13)18(26)17-12-16(5-8-23-17)24-15-4-2-3-14(11-15)19(20,21)22/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,23,24)
InChIKeySHOLNKVAZXCLJS-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.72
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone (PubChem CID 109205195) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
PubChem CID109205195
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cc(Nc3cccc(C(F)(F)F)c3)ccn2)CC1
InChIInChI=1S/C19H20F3N3O/c1-13-6-9-25(10-7-13)18(26)17-12-16(5-8-23-17)24-15-4-2-3-14(11-15)19(20,21)22/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,23,24)
InChIKeySHOLNKVAZXCLJS-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205154
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520
[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205215
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209109
[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205152
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660
[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203769
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone (CID 109205195) is (4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone is CC1CCN(C(=O)c2cc(Nc3cccc(C(F)(F)F)c3)ccn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
The InChIKey is SHOLNKVAZXCLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-13-6-9-25(10-7-13)18(26)17-12-16(5-8-23-17)24-15-4-2-3-14(11-15)19(20,21)22/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,23,24).
What are the key properties of (4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone has a molecular weight of 363.38 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone is sourced from PubChem (CID 109205195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).