piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone

C18H18F3N3O — CID 109182660

IUPACpiperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
SMILESO=C(c1ccc(Nc2cccc(C(F)(F)F)c2)cn1)N1CCCCC1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)13-5-4-6-14(11-13)23-15-7-8-16(22-12-15)17(25)24-9-2-1-3-10-24/h4-8,11-12,23H,1-3,9-10H2
InChIKeyUMAZNLMZACJLSY-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.47
Rot. Bonds3

About piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone

piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone (PubChem CID 109182660) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
PubChem CID109182660
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Namepiperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
SMILESO=C(c1ccc(Nc2cccc(C(F)(F)F)c2)cn1)N1CCCCC1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)13-5-4-6-14(11-13)23-15-7-8-16(22-12-15)17(25)24-9-2-1-3-10-24/h4-8,11-12,23H,1-3,9-10H2
InChIKeyUMAZNLMZACJLSY-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109184685
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109225633
[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363719
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200292
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
The IUPAC name of piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone (CID 109182660) is piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone.
What is the SMILES notation for piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
The canonical SMILES for piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone is O=C(c1ccc(Nc2cccc(C(F)(F)F)c2)cn1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
The InChIKey is UMAZNLMZACJLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)13-5-4-6-14(11-13)23-15-7-8-16(22-12-15)17(25)24-9-2-1-3-10-24/h4-8,11-12,23H,1-3,9-10H2.
What are the key properties of piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone?
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone has a molecular weight of 349.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone is sourced from PubChem (CID 109182660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).