2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide

C20H30F3N3O2 — CID 71522635

IUPAC2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(OCCCC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C20H30F3N3O2/c1-19(2,3)18(27)25-17-7-6-16(13-24-17)28-12-4-5-15-8-10-26(11-9-15)14-20(21,22)23/h6-7,13,15H,4-5,8-12,14H2,1-3H3,(H,24,25,27)
InChIKeyNTUDZLHJBCHXHY-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.50
Rot. Bonds7

About 2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide

2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide (PubChem CID 71522635) has the molecular formula C20H30F3N3O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide
PubChem CID71522635
Molecular FormulaC20H30F3N3O2
Molecular Weight401.47 g/mol
Exact Mass401.23
IUPAC Name2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(OCCCC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C20H30F3N3O2/c1-19(2,3)18(27)25-17-7-6-16(13-24-17)28-12-4-5-15-8-10-26(11-9-15)14-20(21,22)23/h6-7,13,15H,4-5,8-12,14H2,1-3H3,(H,24,25,27)
InChIKeyNTUDZLHJBCHXHY-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide (CID 71522635) is 2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1ccc(OCCCC2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide?
The InChIKey is NTUDZLHJBCHXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N3O2/c1-19(2,3)18(27)25-17-7-6-16(13-24-17)28-12-4-5-15-8-10-26(11-9-15)14-20(21,22)23/h6-7,13,15H,4-5,8-12,14H2,1-3H3,(H,24,25,27).
What are the key properties of 2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide?
2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide has a molecular weight of 401.47 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propoxy]-2-pyridinyl]propanamide is sourced from PubChem (CID 71522635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).