N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide

C16H21N3OS — CID 2997581

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C16H21N3OS/c1-11-5-2-3-8-19(11)10-15(20)18-16-13(9-17)12-6-4-7-14(12)21-16/h11H,2-8,10H2,1H3,(H,18,20)
InChIKeyIAMMBXXZEGDFAN-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.92
Rot. Bonds3

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 2997581) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID2997581
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C16H21N3OS/c1-11-5-2-3-8-19(11)10-15(20)18-16-13(9-17)12-6-4-7-14(12)21-16/h11H,2-8,10H2,1H3,(H,18,20)
InChIKeyIAMMBXXZEGDFAN-UHFFFAOYSA-N
XLogP2.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide 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 N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide (CID 2997581) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide is CC1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is IAMMBXXZEGDFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-5-2-3-8-19(11)10-15(20)18-16-13(9-17)12-6-4-7-14(12)21-16/h11H,2-8,10H2,1H3,(H,18,20).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 303.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 2997581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).