4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide

C14H21N3O2S — CID 119390974

IUPAC4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C14H21N3O2S/c1-11(18)12-9-13(20-10-12)14(19)16-3-2-6-17-7-4-15-5-8-17/h9-10,15H,2-8H2,1H3,(H,16,19)
InChIKeyWHPPUXRFJRAKDT-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.98
Rot. Bonds6

About 4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide

4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 119390974) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID119390974
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C14H21N3O2S/c1-11(18)12-9-13(20-10-12)14(19)16-3-2-6-17-7-4-15-5-8-17/h9-10,15H,2-8H2,1H3,(H,16,19)
InChIKeyWHPPUXRFJRAKDT-UHFFFAOYSA-N
XLogP0.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 119391773
N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107024051
4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide
CID 119405170
4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 119448759
4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429860
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43443281
N-(3-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
CID 65216494
N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119393049
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide (CID 119390974) is 4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide is CC(=O)c1csc(C(=O)NCCCN2CCNCC2)c1.
What is the InChIKey of 4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is WHPPUXRFJRAKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11(18)12-9-13(20-10-12)14(19)16-3-2-6-17-7-4-15-5-8-17/h9-10,15H,2-8H2,1H3,(H,16,19).
What are the key properties of 4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide?
4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 119390974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).