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

C18H26F3N3O — CID 171702181

IUPACN,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide
SMILESCN(CC1CCN(c2ncccc2C(F)(F)F)CC1)C(=O)C(C)(C)C
InChIInChI=1S/C18H26F3N3O/c1-17(2,3)16(25)23(4)12-13-7-10-24(11-8-13)15-14(18(19,20)21)6-5-9-22-15/h5-6,9,13H,7-8,10-12H2,1-4H3
InChIKeyXRNDECUHNUJUCA-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.82
Rot. Bonds3

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

N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide (PubChem CID 171702181) has the molecular formula C18H26F3N3O and a molecular weight of 357.42 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide
PubChem CID171702181
Molecular FormulaC18H26F3N3O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC NameN,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide
SMILESCN(CC1CCN(c2ncccc2C(F)(F)F)CC1)C(=O)C(C)(C)C
InChIInChI=1S/C18H26F3N3O/c1-17(2,3)16(25)23(4)12-13-7-10-24(11-8-13)15-14(18(19,20)21)6-5-9-22-15/h5-6,9,13H,7-8,10-12H2,1-4H3
InChIKeyXRNDECUHNUJUCA-UHFFFAOYSA-N
XLogP3.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide (CID 171702181) is N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide is CN(CC1CCN(c2ncccc2C(F)(F)F)CC1)C(=O)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is XRNDECUHNUJUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O/c1-17(2,3)16(25)23(4)12-13-7-10-24(11-8-13)15-14(18(19,20)21)6-5-9-22-15/h5-6,9,13H,7-8,10-12H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide?
N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 357.42 g/mol, XLogP of 3.82, 3 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-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 171702181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).