2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide

C12H17N3OS — CID 142771229

IUPAC2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1cc2c(s1)CCC2
InChIInChI=1S/C12H17N3OS/c13-12(16)15-5-4-14-7-9(15)11-6-8-2-1-3-10(8)17-11/h6,9,14H,1-5,7H2,(H2,13,16)
InChIKeyVGCGDTWEUIFIQG-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.26
Rot. Bonds1

About 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide

2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide (PubChem CID 142771229) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide
PubChem CID142771229
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1cc2c(s1)CCC2
InChIInChI=1S/C12H17N3OS/c13-12(16)15-5-4-14-7-9(15)11-6-8-2-1-3-10(8)17-11/h6,9,14H,1-5,7H2,(H2,13,16)
InChIKeyVGCGDTWEUIFIQG-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide (CID 142771229) is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide is NC(=O)N1CCNCC1c1cc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide?
The InChIKey is VGCGDTWEUIFIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-12(16)15-5-4-14-7-9(15)11-6-8-2-1-3-10(8)17-11/h6,9,14H,1-5,7H2,(H2,13,16).
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide?
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 142771229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).