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

C15H20N4OS — CID 706805

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1
InChIInChI=1S/C15H20N4OS/c1-18-5-7-19(8-6-18)10-14(20)17-15-12(9-16)11-3-2-4-13(11)21-15/h2-8,10H2,1H3,(H,17,20)
InChIKeyIQBDGZHBPLZUOT-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.29
Rot. Bonds3

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 706805) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID706805
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1
InChIInChI=1S/C15H20N4OS/c1-18-5-7-19(8-6-18)10-14(20)17-15-12(9-16)11-3-2-4-13(11)21-15/h2-8,10H2,1H3,(H,17,20)
InChIKeyIQBDGZHBPLZUOT-UHFFFAOYSA-N
XLogP1.29
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide (CID 706805) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is IQBDGZHBPLZUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-18-5-7-19(8-6-18)10-14(20)17-15-12(9-16)11-3-2-4-13(11)21-15/h2-8,10H2,1H3,(H,17,20).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 706805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).