3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide

C18H24N2OS2 — CID 49056769

IUPAC3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCc1ccsc1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H24N2OS2/c21-18(4-3-16-7-11-22-14-16)19-12-15-5-8-20(9-6-15)13-17-2-1-10-23-17/h1-2,7,10-11,14-15H,3-6,8-9,12-13H2,(H,19,21)
InChIKeyARBLYWLOFYFTFF-UHFFFAOYSA-N
MW348.54 g/mol
LogP3.77
Rot. Bonds7

About 3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide

3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 49056769) has the molecular formula C18H24N2OS2 and a molecular weight of 348.54 g/mol. Its IUPAC name is 3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
PubChem CID49056769
Molecular FormulaC18H24N2OS2
Molecular Weight348.54 g/mol
Exact Mass348.13
IUPAC Name3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCc1ccsc1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H24N2OS2/c21-18(4-3-16-7-11-22-14-16)19-12-15-5-8-20(9-6-15)13-17-2-1-10-23-17/h1-2,7,10-11,14-15H,3-6,8-9,12-13H2,(H,19,21)
InChIKeyARBLYWLOFYFTFF-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide 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-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide (CID 49056769) is 3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide is O=C(CCc1ccsc1)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is ARBLYWLOFYFTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS2/c21-18(4-3-16-7-11-22-14-16)19-12-15-5-8-20(9-6-15)13-17-2-1-10-23-17/h1-2,7,10-11,14-15H,3-6,8-9,12-13H2,(H,19,21).
What are the key properties of 3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide?
3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 348.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 49056769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).