1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone

C17H23F3N2O — CID 167173550

IUPAC1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone
SMILESCC(=O)C1CC(C)CCN1c1ncc(C(F)(F)F)cc1C(C)C
InChIInChI=1S/C17H23F3N2O/c1-10(2)14-8-13(17(18,19)20)9-21-16(14)22-6-5-11(3)7-15(22)12(4)23/h8-11,15H,5-7H2,1-4H3
InChIKeyFXOZXRCDLIQGFS-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.42
Rot. Bonds3

About 1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone

1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone (PubChem CID 167173550) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone
PubChem CID167173550
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone
SMILESCC(=O)C1CC(C)CCN1c1ncc(C(F)(F)F)cc1C(C)C
InChIInChI=1S/C17H23F3N2O/c1-10(2)14-8-13(17(18,19)20)9-21-16(14)22-6-5-11(3)7-15(22)12(4)23/h8-11,15H,5-7H2,1-4H3
InChIKeyFXOZXRCDLIQGFS-UHFFFAOYSA-N
XLogP4.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8,12-di(propan-2-yl)-5-(trifluoromethyl)-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 167173828
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110208974
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032254
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 51153994
methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate
CID 175554513
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N,2-dimethylpropanamide
CID 110208949
(2S)-N-(3-amino-5-hydroxy-4,4-dimethylpent-2-enoyl)-1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide
CID 162588288
9-methyl-13-propan-2-yl-5-(trifluoromethyl)-1,3,9,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-8-one
CID 167173762
(10S)-8-methyl-12-propan-2-yl-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 171587525
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
3-chloro-2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 102785855

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone?
The IUPAC name of 1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone (CID 167173550) is 1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone?
The canonical SMILES for 1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone is CC(=O)C1CC(C)CCN1c1ncc(C(F)(F)F)cc1C(C)C.
What is the InChIKey of 1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone?
The InChIKey is FXOZXRCDLIQGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-10(2)14-8-13(17(18,19)20)9-21-16(14)22-6-5-11(3)7-15(22)12(4)23/h8-11,15H,5-7H2,1-4H3.
What are the key properties of 1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone?
1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone has a molecular weight of 328.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-1-[3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanone is sourced from PubChem (CID 167173550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).