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

C18H19F3N4O — CID 109312815

IUPAC(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
SMILESCC1CCCN(C(=O)c2ccnc(Nc3ccccc3C(F)(F)F)n2)C1
InChIInChI=1S/C18H19F3N4O/c1-12-5-4-10-25(11-12)16(26)15-8-9-22-17(24-15)23-14-7-3-2-6-13(14)18(19,20)21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,22,23,24)
InChIKeyWKFLAUABSRIBDW-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.11
Rot. Bonds3

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

(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone (PubChem CID 109312815) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
PubChem CID109312815
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
SMILESCC1CCCN(C(=O)c2ccnc(Nc3ccccc3C(F)(F)F)n2)C1
InChIInChI=1S/C18H19F3N4O/c1-12-5-4-10-25(11-12)16(26)15-8-9-22-17(24-15)23-14-7-3-2-6-13(14)18(19,20)21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,22,23,24)
InChIKeyWKFLAUABSRIBDW-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone with MolForge

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Related Compounds

pyrrolidin-1-yl-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109297787
[2-(3-chloro-2-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312794
(4-ethylpiperazin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109302632
ethyl 2-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109312862
N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109312821
[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109311434
[2-(3,4-dimethylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312774
[2-(3,4-dichloroanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312853
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109295853
[2-(4-bromo-3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312841
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299223
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312704

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone (CID 109312815) is (3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone is CC1CCCN(C(=O)c2ccnc(Nc3ccccc3C(F)(F)F)n2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone?
The InChIKey is WKFLAUABSRIBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-12-5-4-10-25(11-12)16(26)15-8-9-22-17(24-15)23-14-7-3-2-6-13(14)18(19,20)21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,22,23,24).
What are the key properties of (3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone has a molecular weight of 364.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109312815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).