2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C22H21F3N4O3 — CID 58467625

IUPAC2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESO=C1CCc2cc(NC(=O)C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2C1
InChIInChI=1S/C22H21F3N4O3/c23-22(24,25)16-3-6-19(26-13-16)28-7-9-29(10-8-28)21(32)20(31)27-17-4-1-15-12-18(30)5-2-14(15)11-17/h1,3-4,6,11,13H,2,5,7-10,12H2,(H,27,31)
InChIKeyPFJVROVGFGSLEZ-UHFFFAOYSA-N
MW446.43 g/mol
LogP2.45
Rot. Bonds2

About 2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 58467625) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID58467625
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC Name2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESO=C1CCc2cc(NC(=O)C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2C1
InChIInChI=1S/C22H21F3N4O3/c23-22(24,25)16-3-6-19(26-13-16)28-7-9-29(10-8-28)21(32)20(31)27-17-4-1-15-12-18(30)5-2-14(15)11-17/h1,3-4,6,11,13H,2,5,7-10,12H2,(H,27,31)
InChIKeyPFJVROVGFGSLEZ-UHFFFAOYSA-N
XLogP2.45
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(6-oxo-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 58467787
2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 58350750
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 25258957
N-(3H-indol-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 58350682
2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108531694
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 46629897
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304
N-(4-methylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbothioamide
CID 4842429
(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 47080233
2,2,3,3,4,4,4-heptafluoro-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
CID 4530139
5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid
CID 61389260

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 58467625) is 2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is O=C1CCc2cc(NC(=O)C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2C1.
What is the InChIKey of 2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is PFJVROVGFGSLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c23-22(24,25)16-3-6-19(26-13-16)28-7-9-29(10-8-28)21(32)20(31)27-17-4-1-15-12-18(30)5-2-14(15)11-17/h1,3-4,6,11,13H,2,5,7-10,12H2,(H,27,31).
What are the key properties of 2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 446.43 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 58467625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).