2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide

C15H15F3N4O4 — CID 172888874

IUPAC2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide
SMILESC=CC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)nc2)C(=O)C1
InChIInChI=1S/C15H15F3N4O4/c1-2-13(24)22-6-5-21(14(25)9-22)8-11(23)20-10-3-4-12(19-7-10)26-15(16,17)18/h2-4,7H,1,5-6,8-9H2,(H,20,23)
InChIKeyPTOQOKZABVBQQN-UHFFFAOYSA-N
MW372.30 g/mol
LogP0.78
Rot. Bonds5

About 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide

2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide (PubChem CID 172888874) has the molecular formula C15H15F3N4O4 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide
PubChem CID172888874
Molecular FormulaC15H15F3N4O4
Molecular Weight372.30 g/mol
Exact Mass372.10
IUPAC Name2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide
SMILESC=CC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)nc2)C(=O)C1
InChIInChI=1S/C15H15F3N4O4/c1-2-13(24)22-6-5-21(14(25)9-22)8-11(23)20-10-3-4-12(19-7-10)26-15(16,17)18/h2-4,7H,1,5-6,8-9H2,(H,20,23)
InChIKeyPTOQOKZABVBQQN-UHFFFAOYSA-N
XLogP0.78
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 79285571
N-(6-amino-3-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119516443
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-3-pyridinyl]hept-6-enamide
CID 170084279
N-(4-fluorophenyl)-4-[2-(3-methylbutylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831401
2-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9215439
N-(6-methoxy-3-pyridinyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 56762271
N-[6-[(3E)-hexa-1,3,5-trien-3-yl]-3-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
CID 144869224
2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 166420285
N-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831344
N-(4-fluorophenyl)-4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832895
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 86990066
4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 93072588

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide (CID 172888874) is 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide is C=CC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)nc2)C(=O)C1.
What is the InChIKey of 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide?
The InChIKey is PTOQOKZABVBQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O4/c1-2-13(24)22-6-5-21(14(25)9-22)8-11(23)20-10-3-4-12(19-7-10)26-15(16,17)18/h2-4,7H,1,5-6,8-9H2,(H,20,23).
What are the key properties of 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide?
2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide has a molecular weight of 372.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 172888874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).