4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one

C20H20F3N3O3 — CID 139023411

IUPAC4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
SMILESCOc1ccc(CCC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1
InChIInChI=1S/C20H20F3N3O3/c1-29-16-5-2-14(3-6-16)4-7-18(27)25-10-11-26(19(28)13-25)15-8-9-24-17(12-15)20(21,22)23/h2-3,5-6,8-9,12H,4,7,10-11,13H2,1H3
InChIKeyCFZDUJDGQUQPOM-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.92
Rot. Bonds5

About 4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one

4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one (PubChem CID 139023411) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
PubChem CID139023411
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
SMILESCOc1ccc(CCC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1
InChIInChI=1S/C20H20F3N3O3/c1-29-16-5-2-14(3-6-16)4-7-18(27)25-10-11-26(19(28)13-25)15-8-9-24-17(12-15)20(21,22)23/h2-3,5-6,8-9,12H,4,7,10-11,13H2,1H3
InChIKeyCFZDUJDGQUQPOM-UHFFFAOYSA-N
XLogP2.92
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 139023048
4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023373
4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023005
4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139028770
1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
CID 70769325
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
CID 118765217
N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide
CID 139028801
3-(4-methoxyphenyl)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 71996669
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one (CID 139023411) is 4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one is COc1ccc(CCC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The InChIKey is CFZDUJDGQUQPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-29-16-5-2-14(3-6-16)4-7-18(27)25-10-11-26(19(28)13-25)15-8-9-24-17(12-15)20(21,22)23/h2-3,5-6,8-9,12H,4,7,10-11,13H2,1H3.
What are the key properties of 4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one has a molecular weight of 407.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one is sourced from PubChem (CID 139023411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).