N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide

C17H24F3N3O — CID 163350178

IUPACN,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide
SMILESCN(C(=O)C(C)(C)C)C1CCCN(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C17H24F3N3O/c1-16(2,3)15(24)22(4)13-6-5-9-23(11-13)12-7-8-14(21-10-12)17(18,19)20/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyDGVXYGRVJDMDFS-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.57
Rot. Bonds2

About N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide

N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide (PubChem CID 163350178) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide
PubChem CID163350178
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC NameN,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide
SMILESCN(C(=O)C(C)(C)C)C1CCCN(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C17H24F3N3O/c1-16(2,3)15(24)22(4)13-6-5-9-23(11-13)12-7-8-14(21-10-12)17(18,19)20/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyDGVXYGRVJDMDFS-UHFFFAOYSA-N
XLogP3.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]propanamide
CID 171326504
N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide
CID 163351231
N,2,2-trimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]propanamide
CID 163351190
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide
CID 163350293
1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 171993484
5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 115490992
1-(6-tert-butyl-3-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 134595807
N,2,2-trimethyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide
CID 163351135
[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 169180430
thiomorpholin-4-yl-[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]methanone
CID 171323585
[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
CID 169180436
N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 175650104

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide (CID 163350178) is N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide is CN(C(=O)C(C)(C)C)C1CCCN(c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide?
The InChIKey is DGVXYGRVJDMDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-16(2,3)15(24)22(4)13-6-5-9-23(11-13)12-7-8-14(21-10-12)17(18,19)20/h7-8,10,13H,5-6,9,11H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide?
N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide has a molecular weight of 343.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 163350178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).