N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide

C15H22F3N3OS — CID 163351231

IUPACN,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide
SMILESCN(C(=O)C(C)(C)C)C1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C15H22F3N3OS/c1-14(2,3)12(22)20(4)10-6-5-7-21(8-10)13-19-11(9-23-13)15(16,17)18/h9-10H,5-8H2,1-4H3
InChIKeyBRVBHQAGIFAFFC-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.64
Rot. Bonds2

About N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide

N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide (PubChem CID 163351231) has the molecular formula C15H22F3N3OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide
PubChem CID163351231
Molecular FormulaC15H22F3N3OS
Molecular Weight349.42 g/mol
Exact Mass349.14
IUPAC NameN,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide
SMILESCN(C(=O)C(C)(C)C)C1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C15H22F3N3OS/c1-14(2,3)12(22)20(4)10-6-5-7-21(8-10)13-19-11(9-23-13)15(16,17)18/h9-10H,5-8H2,1-4H3
InChIKeyBRVBHQAGIFAFFC-UHFFFAOYSA-N
XLogP3.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide (CID 163351231) is N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide is CN(C(=O)C(C)(C)C)C1CCCN(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide?
The InChIKey is BRVBHQAGIFAFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3OS/c1-14(2,3)12(22)20(4)10-6-5-7-21(8-10)13-19-11(9-23-13)15(16,17)18/h9-10H,5-8H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide?
N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide has a molecular weight of 349.42 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 163351231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).