2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C17H25N3O3 — CID 125007525

IUPAC2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc([C@@H]2CNCCN2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O3/c1-22-15-4-2-14(3-5-15)16-12-18-6-7-20(16)13-17(21)19-8-10-23-11-9-19/h2-5,16,18H,6-13H2,1H3/t16-/m0/s1
InChIKeyUOFYEAYLYVVKSR-INIZCTEOSA-N
MW319.41 g/mol
LogP0.50
Rot. Bonds4

About 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 125007525) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID125007525
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc([C@@H]2CNCCN2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O3/c1-22-15-4-2-14(3-5-15)16-12-18-6-7-20(16)13-17(21)19-8-10-23-11-9-19/h2-5,16,18H,6-13H2,1H3/t16-/m0/s1
InChIKeyUOFYEAYLYVVKSR-INIZCTEOSA-N
XLogP0.50
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone 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 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 125007525) is 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone is COc1ccc([C@@H]2CNCCN2CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is UOFYEAYLYVVKSR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-22-15-4-2-14(3-5-15)16-12-18-6-7-20(16)13-17(21)19-8-10-23-11-9-19/h2-5,16,18H,6-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 319.41 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 125007525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).