2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide

C13H16F3N3O — CID 100689790

IUPAC2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-4-5-12(18-8-9)19-6-2-1-3-10(19)7-11(17)20/h4-5,8,10H,1-3,6-7H2,(H2,17,20)/t10-/m1/s1
InChIKeyKSQDMCCJRAIQEP-SNVBAGLBSA-N
MW287.29 g/mol
LogP2.33
Rot. Bonds3

About 2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide

2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide (PubChem CID 100689790) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide
PubChem CID100689790
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-4-5-12(18-8-9)19-6-2-1-3-10(19)7-11(17)20/h4-5,8,10H,1-3,6-7H2,(H2,17,20)/t10-/m1/s1
InChIKeyKSQDMCCJRAIQEP-SNVBAGLBSA-N
XLogP2.33
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide (CID 100689790) is 2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide is NC(=O)C[C@H]1CCCCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide?
The InChIKey is KSQDMCCJRAIQEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)9-4-5-12(18-8-9)19-6-2-1-3-10(19)7-11(17)20/h4-5,8,10H,1-3,6-7H2,(H2,17,20)/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide?
2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide has a molecular weight of 287.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 100689790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).