[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone

C15H21N3OS — CID 63799505

IUPAC[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2sccc2C#CCN)CC1
InChIInChI=1S/C15H21N3OS/c1-2-7-17-8-10-18(11-9-17)15(19)14-13(4-3-6-16)5-12-20-14/h5,12H,2,6-11,16H2,1H3
InChIKeyLWDLKZAVURSZGN-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.23
Rot. Bonds3

About [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone

[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 63799505) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID63799505
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2sccc2C#CCN)CC1
InChIInChI=1S/C15H21N3OS/c1-2-7-17-8-10-18(11-9-17)15(19)14-13(4-3-6-16)5-12-20-14/h5,12H,2,6-11,16H2,1H3
InChIKeyLWDLKZAVURSZGN-UHFFFAOYSA-N
XLogP1.23
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-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 [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone (CID 63799505) is [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2sccc2C#CCN)CC1.
What is the InChIKey of [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is LWDLKZAVURSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-7-17-8-10-18(11-9-17)15(19)14-13(4-3-6-16)5-12-20-14/h5,12H,2,6-11,16H2,1H3.
What are the key properties of [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone?
[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 291.42 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 63799505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).