2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide

C13H17F3N4O — CID 46673117

IUPAC2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H17F3N4O/c1-9(12(17)21)19-4-6-20(7-5-19)11-3-2-10(8-18-11)13(14,15)16/h2-3,8-9H,4-7H2,1H3,(H2,17,21)
InChIKeySAQFDXGDKKTFOA-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.10
Rot. Bonds3

About 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide

2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide (PubChem CID 46673117) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
PubChem CID46673117
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H17F3N4O/c1-9(12(17)21)19-4-6-20(7-5-19)11-3-2-10(8-18-11)13(14,15)16/h2-3,8-9H,4-7H2,1H3,(H2,17,21)
InChIKeySAQFDXGDKKTFOA-UHFFFAOYSA-N
XLogP1.10
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-Acetylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide (CID 46673117) is 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The InChIKey is SAQFDXGDKKTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-9(12(17)21)19-4-6-20(7-5-19)11-3-2-10(8-18-11)13(14,15)16/h2-3,8-9H,4-7H2,1H3,(H2,17,21).
What are the key properties of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide has a molecular weight of 302.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 46673117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).