3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C22H24F3N3O2 — CID 42466443

IUPAC3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1cccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C22H24F3N3O2/c1-15-4-2-6-19(26-15)21(30)28-13-3-5-16(14-28)7-12-20(29)27-18-10-8-17(9-11-18)22(23,24)25/h2,4,6,8-11,16H,3,5,7,12-14H2,1H3,(H,27,29)/t16-/m0/s1
InChIKeyXQBUWNJJEJQXSY-INIZCTEOSA-N
MW419.45 g/mol
LogP4.68
Rot. Bonds5

About 3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 42466443) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID42466443
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1cccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C22H24F3N3O2/c1-15-4-2-6-19(26-15)21(30)28-13-3-5-16(14-28)7-12-20(29)27-18-10-8-17(9-11-18)22(23,24)25/h2,4,6,8-11,16H,3,5,7,12-14H2,1H3,(H,27,29)/t16-/m0/s1
InChIKeyXQBUWNJJEJQXSY-INIZCTEOSA-N
XLogP4.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45186780
3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45232912
3-[1-(2-acetylbenzoyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 70720941
3-[(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 25379477
3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26315418
3-[1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45215023
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97271885
3-[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97279744
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]piperidine-1-carboxamide
CID 95093828
3-[(3R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97281937
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 42466443) is 3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is Cc1cccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1.
What is the InChIKey of 3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XQBUWNJJEJQXSY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-15-4-2-6-19(26-15)21(30)28-13-3-5-16(14-28)7-12-20(29)27-18-10-8-17(9-11-18)22(23,24)25/h2,4,6,8-11,16H,3,5,7,12-14H2,1H3,(H,27,29)/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 419.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42466443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).