2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C15H19F3N4O2 — CID 133358979

IUPAC2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C15H19F3N4O2/c1-10(2)20-13(23)14(24)22-7-5-21(6-8-22)12-9-11(3-4-19-12)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3,(H,20,23)
InChIKeyXEFIODSFNULGMU-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.27
Rot. Bonds2

About 2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 133358979) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID133358979
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C15H19F3N4O2/c1-10(2)20-13(23)14(24)22-7-5-21(6-8-22)12-9-11(3-4-19-12)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3,(H,20,23)
InChIKeyXEFIODSFNULGMU-UHFFFAOYSA-N
XLogP1.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone;formic acid
CID 154919125
(5-methyl-1,2-thiazol-3-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 154857579
(3-methylphenyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 133335211
2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 66329032
2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanethioamide
CID 66328060
anthracen-9-yl-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 10410706
3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclohexan-1-one
CID 143492784
[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67244637
(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 129171739
4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
CID 121020750
tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate
CID 72573887
[(1S)-3-[(1,1-dioxothian-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 143492732

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 133358979) is 2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is CC(C)NC(=O)C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of 2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is XEFIODSFNULGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-10(2)20-13(23)14(24)22-7-5-21(6-8-22)12-9-11(3-4-19-12)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3,(H,20,23).
What are the key properties of 2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 344.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 133358979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).