(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

C19H20F3N3O — CID 109240749

IUPAC(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2cncc(Nc3cccc(C(F)(F)F)c3)c2)C1
InChIInChI=1S/C19H20F3N3O/c1-13-4-3-7-25(12-13)18(26)14-8-17(11-23-10-14)24-16-6-2-5-15(9-16)19(20,21)22/h2,5-6,8-11,13,24H,3-4,7,12H2,1H3
InChIKeyAAUVQLORZJOQLA-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.72
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (PubChem CID 109240749) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
PubChem CID109240749
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2cncc(Nc3cccc(C(F)(F)F)c3)c2)C1
InChIInChI=1S/C19H20F3N3O/c1-13-4-3-7-25(12-13)18(26)14-8-17(11-23-10-14)24-16-6-2-5-15(9-16)19(20,21)22/h2,5-6,8-11,13,24H,3-4,7,12H2,1H3
InChIKeyAAUVQLORZJOQLA-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

pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109225633
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223439
(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109240763
(3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
CID 109240719
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240802
3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355
2-(3-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140438
N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109239319
N-(3-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107515
[5-(3-bromoanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225656

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (CID 109240749) is (3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is CC1CCCN(C(=O)c2cncc(Nc3cccc(C(F)(F)F)c3)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The InChIKey is AAUVQLORZJOQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-13-4-3-7-25(12-13)18(26)14-8-17(11-23-10-14)24-16-6-2-5-15(9-16)19(20,21)22/h2,5-6,8-11,13,24H,3-4,7,12H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-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 (3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is sourced from PubChem (CID 109240749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).