1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C15H20F3N3O2 — CID 155239924

IUPAC1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCCc1cc(N)c(OC)nc1C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O2/c1-3-9-8-11(19)13(23-2)20-12(9)10-4-6-21(7-5-10)14(22)15(16,17)18/h8,10H,3-7,19H2,1-2H3
InChIKeyHRMDGQMZPFLWRT-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.50
Rot. Bonds3

About 1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 155239924) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID155239924
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCCc1cc(N)c(OC)nc1C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O2/c1-3-9-8-11(19)13(23-2)20-12(9)10-4-6-21(7-5-10)14(22)15(16,17)18/h8,10H,3-7,19H2,1-2H3
InChIKeyHRMDGQMZPFLWRT-UHFFFAOYSA-N
XLogP2.50
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 155239924) is 1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone is CCc1cc(N)c(OC)nc1C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is HRMDGQMZPFLWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-3-9-8-11(19)13(23-2)20-12(9)10-4-6-21(7-5-10)14(22)15(16,17)18/h8,10H,3-7,19H2,1-2H3.
What are the key properties of 1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 331.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-3-ethyl-6-methoxy-2-pyridinyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 155239924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).