(4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

C16H28F3N3O3 — CID 119752115

IUPAC(4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
SMILESCOC1(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCNCC1
InChIInChI=1S/C16H28F3N3O3/c1-24-15(3-5-20-6-4-15)14(23)22-10-8-21(9-11-22)7-2-12-25-13-16(17,18)19/h20H,2-13H2,1H3
InChIKeyJWRQCGASXCHTHH-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.87
Rot. Bonds7

About (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

(4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone (PubChem CID 119752115) has the molecular formula C16H28F3N3O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
PubChem CID119752115
Molecular FormulaC16H28F3N3O3
Molecular Weight367.41 g/mol
Exact Mass367.21
IUPAC Name(4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
SMILESCOC1(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCNCC1
InChIInChI=1S/C16H28F3N3O3/c1-24-15(3-5-20-6-4-15)14(23)22-10-8-21(9-11-22)7-2-12-25-13-16(17,18)19/h20H,2-13H2,1H3
InChIKeyJWRQCGASXCHTHH-UHFFFAOYSA-N
XLogP0.87
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone 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 (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone (CID 119752115) is (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone is COC1(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCNCC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
The InChIKey is JWRQCGASXCHTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O3/c1-24-15(3-5-20-6-4-15)14(23)22-10-8-21(9-11-22)7-2-12-25-13-16(17,18)19/h20H,2-13H2,1H3.
What are the key properties of (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
(4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119752115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).