1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C15H24F3N3O3 — CID 55718173

IUPAC1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCN1CCN(C(=O)C2CCN(C(=O)COCC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H24F3N3O3/c1-19-6-8-21(9-7-19)14(23)12-2-4-20(5-3-12)13(22)10-24-11-15(16,17)18/h12H,2-11H2,1H3
InChIKeyNVCNABMIKRUQSK-UHFFFAOYSA-N
MW351.37 g/mol
LogP0.58
Rot. Bonds4

About 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 55718173) has the molecular formula C15H24F3N3O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID55718173
Molecular FormulaC15H24F3N3O3
Molecular Weight351.37 g/mol
Exact Mass351.18
IUPAC Name1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCN1CCN(C(=O)C2CCN(C(=O)COCC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H24F3N3O3/c1-19-6-8-21(9-7-19)14(23)12-2-4-20(5-3-12)13(22)10-24-11-15(16,17)18/h12H,2-11H2,1H3
InChIKeyNVCNABMIKRUQSK-UHFFFAOYSA-N
XLogP0.58
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone 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 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 55718173) is 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is CN1CCN(C(=O)C2CCN(C(=O)COCC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is NVCNABMIKRUQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O3/c1-19-6-8-21(9-7-19)14(23)12-2-4-20(5-3-12)13(22)10-24-11-15(16,17)18/h12H,2-11H2,1H3.
What are the key properties of 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 351.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 55718173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).