N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

C13H19N3O3S — CID 47128052

IUPACN-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-10-20-11/h2-3,10H,4-9H2,1H3,(H,14,18)
InChIKeyQKXFZIVPIBBCQA-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.86
Rot. Bonds4

About N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (PubChem CID 47128052) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
PubChem CID47128052
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-10-20-11/h2-3,10H,4-9H2,1H3,(H,14,18)
InChIKeyQKXFZIVPIBBCQA-UHFFFAOYSA-N
XLogP0.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (CID 47128052) is N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is COCCNC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is QKXFZIVPIBBCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-10-20-11/h2-3,10H,4-9H2,1H3,(H,14,18).
What are the key properties of N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 47128052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).