[6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate

C14H17F3N4O3 — CID 68736365

IUPAC[6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
SMILESCNC1CCN(c2ccc(OC(=O)C(F)(F)F)cn2)C(C(N)=O)C1
InChIInChI=1S/C14H17F3N4O3/c1-19-8-4-5-21(10(6-8)12(18)22)11-3-2-9(7-20-11)24-13(23)14(15,16)17/h2-3,7-8,10,19H,4-6H2,1H3,(H2,18,22)
InChIKeyWFDUITPXLYSTQY-UHFFFAOYSA-N
MW346.31 g/mol
LogP0.59
Rot. Bonds4

About [6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate

[6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate (PubChem CID 68736365) has the molecular formula C14H17F3N4O3 and a molecular weight of 346.31 g/mol. Its IUPAC name is [6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
PubChem CID68736365
Molecular FormulaC14H17F3N4O3
Molecular Weight346.31 g/mol
Exact Mass346.13
IUPAC Name[6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
SMILESCNC1CCN(c2ccc(OC(=O)C(F)(F)F)cn2)C(C(N)=O)C1
InChIInChI=1S/C14H17F3N4O3/c1-19-8-4-5-21(10(6-8)12(18)22)11-3-2-9(7-20-11)24-13(23)14(15,16)17/h2-3,7-8,10,19H,4-6H2,1H3,(H2,18,22)
InChIKeyWFDUITPXLYSTQY-UHFFFAOYSA-N
XLogP0.59
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
The IUPAC name of [6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate (CID 68736365) is [6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate is CNC1CCN(c2ccc(OC(=O)C(F)(F)F)cn2)C(C(N)=O)C1.
What is the InChIKey of [6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
The InChIKey is WFDUITPXLYSTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O3/c1-19-8-4-5-21(10(6-8)12(18)22)11-3-2-9(7-20-11)24-13(23)14(15,16)17/h2-3,7-8,10,19H,4-6H2,1H3,(H2,18,22).
What are the key properties of [6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
[6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate has a molecular weight of 346.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68736365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).