pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone

C16H15F3N4O — CID 97153254

IUPACpyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
SMILESO=C(c1cccnc1)[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-5-7-21-15(22-13)23-8-2-4-12(10-23)14(24)11-3-1-6-20-9-11/h1,3,5-7,9,12H,2,4,8,10H2/t12-/m0/s1
InChIKeyYQGDJOTZWKGXDJ-LBPRGKRZSA-N
MW336.32 g/mol
LogP2.99
Rot. Bonds3

About pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone

pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone (PubChem CID 97153254) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
PubChem CID97153254
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Namepyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
SMILESO=C(c1cccnc1)[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-5-7-21-15(22-13)23-8-2-4-12(10-23)14(24)11-3-1-6-20-9-11/h1,3,5-7,9,12H,2,4,8,10H2/t12-/m0/s1
InChIKeyYQGDJOTZWKGXDJ-LBPRGKRZSA-N
XLogP2.99
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]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

pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 72933635
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 163354691
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743
2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide
CID 163357546
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone
CID 165434652
2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 31536956
(3S)-3-methylsulfanyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 124590786
phenyl-[(2R)-2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]azepan-1-yl]methanone
CID 95331350
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 72847566
ethyl (3R)-1-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-3-carboxylate
CID 97451731

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
The IUPAC name of pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone (CID 97153254) is pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
The canonical SMILES for pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone is O=C(c1cccnc1)[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
The InChIKey is YQGDJOTZWKGXDJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)13-5-7-21-15(22-13)23-8-2-4-12(10-23)14(24)11-3-1-6-20-9-11/h1,3,5-7,9,12H,2,4,8,10H2/t12-/m0/s1.
What are the key properties of pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone has a molecular weight of 336.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 97153254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).