2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide

C19H21F3N3O2+ — CID 152751416

IUPAC2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCC(c2cccc[nH+]2)CC1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)27-16-5-3-4-15(12-16)24-18(26)13-25-10-7-14(8-11-25)17-6-1-2-9-23-17/h1-6,9,12,14H,7-8,10-11,13H2,(H,24,26)/p+1
InChIKeyHGTAJDWOFQSZRA-UHFFFAOYSA-O
MW380.39 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide

2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 152751416) has the molecular formula C19H21F3N3O2+ and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID152751416
Molecular FormulaC19H21F3N3O2+
Molecular Weight380.39 g/mol
Exact Mass380.16
IUPAC Name2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCC(c2cccc[nH+]2)CC1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)27-16-5-3-4-15(12-16)24-18(26)13-25-10-7-14(8-11-25)17-6-1-2-9-23-17/h1-6,9,12,14H,7-8,10-11,13H2,(H,24,26)/p+1
InChIKeyHGTAJDWOFQSZRA-UHFFFAOYSA-O
XLogP3.22
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 152751416) is 2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide is O=C(CN1CCC(c2cccc[nH+]2)CC1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is HGTAJDWOFQSZRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)27-16-5-3-4-15(12-16)24-18(26)13-25-10-7-14(8-11-25)17-6-1-2-9-23-17/h1-6,9,12,14H,7-8,10-11,13H2,(H,24,26)/p+1.
What are the key properties of 2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 380.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-1-ium-2-ylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 152751416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).