2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C13H17F3N4O — CID 82795400

IUPAC2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(F)(F)F)nc1)N1CCNCC1
InChIInChI=1S/C13H17F3N4O/c1-9(20-6-4-17-5-7-20)12(21)19-10-2-3-11(18-8-10)13(14,15)16/h2-3,8-9,17H,4-7H2,1H3,(H,19,21)
InChIKeyXNDFURVVLMOALI-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.33
Rot. Bonds3

About 2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 82795400) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID82795400
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(F)(F)F)nc1)N1CCNCC1
InChIInChI=1S/C13H17F3N4O/c1-9(20-6-4-17-5-7-20)12(21)19-10-2-3-11(18-8-10)13(14,15)16/h2-3,8-9,17H,4-7H2,1H3,(H,19,21)
InChIKeyXNDFURVVLMOALI-UHFFFAOYSA-N
XLogP1.33
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide
CID 43130677
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
N-(4-aminophenyl)-2-piperazin-1-ylpropanamide
CID 82224554
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-[4-(2-hydroxyethyl)phenyl]-2-piperazin-1-ylpropanamide
CID 61237892
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116
N-(6-amino-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 119516115
(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8516481

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 82795400) is 2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(C(=O)Nc1ccc(C(F)(F)F)nc1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is XNDFURVVLMOALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-9(20-6-4-17-5-7-20)12(21)19-10-2-3-11(18-8-10)13(14,15)16/h2-3,8-9,17H,4-7H2,1H3,(H,19,21).
What are the key properties of 2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 302.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 82795400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).