5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

C19H24F3N3O2 — CID 24817236

IUPAC5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESCN1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C19H24F3N3O2/c1-23-7-9-24(10-8-23)18(27)15-5-6-17(26)25(13-15)12-14-3-2-4-16(11-14)19(20,21)22/h2-4,11,15H,5-10,12-13H2,1H3
InChIKeyKWHGRUJYBWVMJC-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.22
Rot. Bonds3

About 5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (PubChem CID 24817236) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
PubChem CID24817236
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESCN1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C19H24F3N3O2/c1-23-7-9-24(10-8-23)18(27)15-5-6-17(26)25(13-15)12-14-3-2-4-16(11-14)19(20,21)22/h2-4,11,15H,5-10,12-13H2,1H3
InChIKeyKWHGRUJYBWVMJC-UHFFFAOYSA-N
XLogP2.22
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (CID 24817236) is 5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is CN1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The InChIKey is KWHGRUJYBWVMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-23-7-9-24(10-8-23)18(27)15-5-6-17(26)25(13-15)12-14-3-2-4-16(11-14)19(20,21)22/h2-4,11,15H,5-10,12-13H2,1H3.
What are the key properties of 5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one has a molecular weight of 383.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 24817236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).