4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one

C24H23F4N3O3 — CID 167826168

IUPAC4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CCC(=O)N(c3cccc(F)c3)C2)CCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H23F4N3O3/c25-19-2-1-3-20(12-19)31-14-17(6-9-21(31)32)23(34)30-11-10-29(22(33)15-30)13-16-4-7-18(8-5-16)24(26,27)28/h1-5,7-8,12,17H,6,9-11,13-15H2
InChIKeyJGIHRXATSDCLAJ-UHFFFAOYSA-N
MW477.46 g/mol
LogP3.46
Rot. Bonds4

About 4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one

4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one (PubChem CID 167826168) has the molecular formula C24H23F4N3O3 and a molecular weight of 477.46 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one
PubChem CID167826168
Molecular FormulaC24H23F4N3O3
Molecular Weight477.46 g/mol
Exact Mass477.17
IUPAC Name4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CCC(=O)N(c3cccc(F)c3)C2)CCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H23F4N3O3/c25-19-2-1-3-20(12-19)31-14-17(6-9-21(31)32)23(34)30-11-10-29(22(33)15-30)13-16-4-7-18(8-5-16)24(26,27)28/h1-5,7-8,12,17H,6,9-11,13-15H2
InChIKeyJGIHRXATSDCLAJ-UHFFFAOYSA-N
XLogP3.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The IUPAC name of 4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one (CID 167826168) is 4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one is O=C1CN(C(=O)C2CCC(=O)N(c3cccc(F)c3)C2)CCN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The InChIKey is JGIHRXATSDCLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O3/c25-19-2-1-3-20(12-19)31-14-17(6-9-21(31)32)23(34)30-11-10-29(22(33)15-30)13-16-4-7-18(8-5-16)24(26,27)28/h1-5,7-8,12,17H,6,9-11,13-15H2.
What are the key properties of 4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one has a molecular weight of 477.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 167826168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).