2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide

C13H19N3O2S — CID 47314734

IUPAC2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1ccc(C(=O)N2CCN(C(C)C(N)=O)CC2)s1
InChIInChI=1S/C13H19N3O2S/c1-9-3-4-11(19-9)13(18)16-7-5-15(6-8-16)10(2)12(14)17/h3-4,10H,5-8H2,1-2H3,(H2,14,17)
InChIKeyHVAKDMNOBVAJBQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.69
Rot. Bonds3

About 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide

2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 47314734) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID47314734
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1ccc(C(=O)N2CCN(C(C)C(N)=O)CC2)s1
InChIInChI=1S/C13H19N3O2S/c1-9-3-4-11(19-9)13(18)16-7-5-15(6-8-16)10(2)12(14)17/h3-4,10H,5-8H2,1-2H3,(H2,14,17)
InChIKeyHVAKDMNOBVAJBQ-UHFFFAOYSA-N
XLogP0.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide (CID 47314734) is 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide is Cc1ccc(C(=O)N2CCN(C(C)C(N)=O)CC2)s1.
What is the InChIKey of 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is HVAKDMNOBVAJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9-3-4-11(19-9)13(18)16-7-5-15(6-8-16)10(2)12(14)17/h3-4,10H,5-8H2,1-2H3,(H2,14,17).
What are the key properties of 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide?
2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 281.38 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 47314734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).