[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C16H27N3O2S — CID 11587883

IUPAC[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCNCc1ccc(C(=O)N2CCN(C(C)C)CC2)s1
InChIInChI=1S/C16H27N3O2S/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h4-5,13,17H,6-12H2,1-3H3
InChIKeyDTSYZOPDJZRHPG-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.65
Rot. Bonds7

About [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11587883) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11587883
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCNCc1ccc(C(=O)N2CCN(C(C)C)CC2)s1
InChIInChI=1S/C16H27N3O2S/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h4-5,13,17H,6-12H2,1-3H3
InChIKeyDTSYZOPDJZRHPG-UHFFFAOYSA-N
XLogP1.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-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 [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11587883) is [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is COCCNCc1ccc(C(=O)N2CCN(C(C)C)CC2)s1.
What is the InChIKey of [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is DTSYZOPDJZRHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h4-5,13,17H,6-12H2,1-3H3.
What are the key properties of [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 325.48 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11587883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).