N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide

C13H17F3N4O2 — CID 119494193

IUPACN-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)9-22-8-12(21)19-11-2-1-10(7-18-11)20-5-3-17-4-6-20/h1-2,7,17H,3-6,8-9H2,(H,18,19,21)
InChIKeyLZOBVVHFKDMOAX-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.01
Rot. Bonds5

About N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 119494193) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID119494193
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC NameN-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)9-22-8-12(21)19-11-2-1-10(7-18-11)20-5-3-17-4-6-20/h1-2,7,17H,3-6,8-9H2,(H,18,19,21)
InChIKeyLZOBVVHFKDMOAX-UHFFFAOYSA-N
XLogP1.01
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;hydrochloride
CID 119494378
N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119494136
N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 119494232
N-(5-chloro-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997957
2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362
N-(5-piperazin-1-yl-2-pyridinyl)-2-pyrazol-1-ylacetamide
CID 119494481
3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride
CID 119494536
N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260350
3-(4-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)propanamide
CID 119494095
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide
CID 119494267
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119494266

Frequently Asked Questions

What is the IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 119494193) is N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1ccc(N2CCNCC2)cn1.
What is the InChIKey of N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is LZOBVVHFKDMOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c14-13(15,16)9-22-8-12(21)19-11-2-1-10(7-18-11)20-5-3-17-4-6-20/h1-2,7,17H,3-6,8-9H2,(H,18,19,21).
What are the key properties of N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 318.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 119494193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).