2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide

C18H26F3N3O — CID 142429268

IUPAC2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H26F3N3O/c1-17(2,3)16(25)22-9-12-24-10-7-13(8-11-24)14-5-4-6-15(23-14)18(19,20)21/h4-6,13H,7-12H2,1-3H3,(H,22,25)
InChIKeyWRRJZZBXRRDBBD-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.44
Rot. Bonds4

About 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide

2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide (PubChem CID 142429268) has the molecular formula C18H26F3N3O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide
PubChem CID142429268
Molecular FormulaC18H26F3N3O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC Name2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H26F3N3O/c1-17(2,3)16(25)22-9-12-24-10-7-13(8-11-24)14-5-4-6-15(23-14)18(19,20)21/h4-6,13H,7-12H2,1-3H3,(H,22,25)
InChIKeyWRRJZZBXRRDBBD-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide (CID 142429268) is 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide is CC(C)(C)C(=O)NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide?
The InChIKey is WRRJZZBXRRDBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O/c1-17(2,3)16(25)22-9-12-24-10-7-13(8-11-24)14-5-4-6-15(23-14)18(19,20)21/h4-6,13H,7-12H2,1-3H3,(H,22,25).
What are the key properties of 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide has a molecular weight of 357.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 142429268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).