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

C19H22F3N3O3 — CID 72889062

IUPAC1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one
SMILESCN1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1=O
InChIInChI=1S/C19H22F3N3O3/c1-23-7-8-24(12-17(23)27)18(28)14-5-6-16(26)25(11-14)10-13-3-2-4-15(9-13)19(20,21)22/h2-4,9,14H,5-8,10-12H2,1H3
InChIKeyLRBCAUXPCLOGJC-UHFFFAOYSA-N
MW397.40 g/mol
LogP1.74
Rot. Bonds3

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

1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one (PubChem CID 72889062) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one
PubChem CID72889062
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC Name1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one
SMILESCN1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1=O
InChIInChI=1S/C19H22F3N3O3/c1-23-7-8-24(12-17(23)27)18(28)14-5-6-16(26)25(11-14)10-13-3-2-4-15(9-13)19(20,21)22/h2-4,9,14H,5-8,10-12H2,1H3
InChIKeyLRBCAUXPCLOGJC-UHFFFAOYSA-N
XLogP1.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one (CID 72889062) is 1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one is CN1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1=O.
What is the InChIKey of 1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one?
The InChIKey is LRBCAUXPCLOGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-23-7-8-24(12-17(23)27)18(28)14-5-6-16(26)25(11-14)10-13-3-2-4-15(9-13)19(20,21)22/h2-4,9,14H,5-8,10-12H2,1H3.
What are the key properties of 1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one?
1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one has a molecular weight of 397.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 72889062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).