(3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C14H22N2O2S — CID 56779929

IUPAC(3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCCc1ccsc1C(=O)N1CCN(CC(C)O)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-12-4-9-19-13(12)14(18)16-7-5-15(6-8-16)10-11(2)17/h4,9,11,17H,3,5-8,10H2,1-2H3
InChIKeyPXJYNXJVKZFCGB-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.45
Rot. Bonds4

About (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

(3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56779929) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56779929
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCCc1ccsc1C(=O)N1CCN(CC(C)O)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-12-4-9-19-13(12)14(18)16-7-5-15(6-8-16)10-11(2)17/h4,9,11,17H,3,5-8,10H2,1-2H3
InChIKeyPXJYNXJVKZFCGB-UHFFFAOYSA-N
XLogP1.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)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 (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56779929) is (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CCc1ccsc1C(=O)N1CCN(CC(C)O)CC1.
What is the InChIKey of (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is PXJYNXJVKZFCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-12-4-9-19-13(12)14(18)16-7-5-15(6-8-16)10-11(2)17/h4,9,11,17H,3,5-8,10H2,1-2H3.
What are the key properties of (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
(3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 282.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56779929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).