6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

C17H27F3N4O3 — CID 163200068

IUPAC6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESCC(=O)N1CCN(C2CC(N3CCOC[C@H]3C)CC(=O)N2)C(C(F)(F)F)C1
InChIInChI=1S/C17H27F3N4O3/c1-11-10-27-6-5-23(11)13-7-15(21-16(26)8-13)24-4-3-22(12(2)25)9-14(24)17(18,19)20/h11,13-15H,3-10H2,1-2H3,(H,21,26)/t11-,13?,14?,15?/m1/s1
InChIKeyFSRMQJYCUWFHSU-NLBOEYJZSA-N
MW392.42 g/mol
LogP0.41
Rot. Bonds2

About 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 163200068) has the molecular formula C17H27F3N4O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID163200068
Molecular FormulaC17H27F3N4O3
Molecular Weight392.42 g/mol
Exact Mass392.20
IUPAC Name6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESCC(=O)N1CCN(C2CC(N3CCOC[C@H]3C)CC(=O)N2)C(C(F)(F)F)C1
InChIInChI=1S/C17H27F3N4O3/c1-11-10-27-6-5-23(11)13-7-15(21-16(26)8-13)24-4-3-22(12(2)25)9-14(24)17(18,19)20/h11,13-15H,3-10H2,1-2H3,(H,21,26)/t11-,13?,14?,15?/m1/s1
InChIKeyFSRMQJYCUWFHSU-NLBOEYJZSA-N
XLogP0.41
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (CID 163200068) is 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is CC(=O)N1CCN(C2CC(N3CCOC[C@H]3C)CC(=O)N2)C(C(F)(F)F)C1.
What is the InChIKey of 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is FSRMQJYCUWFHSU-NLBOEYJZSA-N. The full InChI is InChI=1S/C17H27F3N4O3/c1-11-10-27-6-5-23(11)13-7-15(21-16(26)8-13)24-4-3-22(12(2)25)9-14(24)17(18,19)20/h11,13-15H,3-10H2,1-2H3,(H,21,26)/t11-,13?,14?,15?/m1/s1.
What are the key properties of 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one has a molecular weight of 392.42 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).