(3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone

C16H20F3N3O — CID 171439279

IUPAC(3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC(c3cnccc3C(F)(F)F)CC2)CNC1
InChIInChI=1S/C16H20F3N3O/c1-15(9-21-10-15)14(23)22-6-3-11(4-7-22)12-8-20-5-2-13(12)16(17,18)19/h2,5,8,11,21H,3-4,6-7,9-10H2,1H3
InChIKeyIGMQPFBEAXUGJL-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.42
Rot. Bonds2

About (3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone

(3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone (PubChem CID 171439279) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is (3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone
PubChem CID171439279
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name(3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC(c3cnccc3C(F)(F)F)CC2)CNC1
InChIInChI=1S/C16H20F3N3O/c1-15(9-21-10-15)14(23)22-6-3-11(4-7-22)12-8-20-5-2-13(12)16(17,18)19/h2,5,8,11,21H,3-4,6-7,9-10H2,1H3
InChIKeyIGMQPFBEAXUGJL-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine
CID 174946323
3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol
CID 102707376
1-[3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 146145502
2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one
CID 102708865
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 158400377
3-piperidin-2-yl-4-(trifluoromethyl)pyridine
CID 103692989
(3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 128544432
tert-butyl 4-(4-cyano-3-pyridinyl)piperidine-1-carboxylate
CID 175285098
ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
CID 166104335
2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 159142820
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 129483801

Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone (CID 171439279) is (3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone is CC1(C(=O)N2CCC(c3cnccc3C(F)(F)F)CC2)CNC1.
What is the InChIKey of (3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is IGMQPFBEAXUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-15(9-21-10-15)14(23)22-6-3-11(4-7-22)12-8-20-5-2-13(12)16(17,18)19/h2,5,8,11,21H,3-4,6-7,9-10H2,1H3.
What are the key properties of (3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone?
(3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 327.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 171439279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).