1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide

C10H11Cl2N3O2S — CID 107963606

IUPAC1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2N3O2S/c11-7-3-5(8(12)18-7)10(17)15-2-1-14-4-6(15)9(13)16/h3,6,14H,1-2,4H2,(H2,13,16)
InChIKeyDAAAYPOILQGDEZ-UHFFFAOYSA-N
MW308.19 g/mol
LogP0.95
Rot. Bonds2

About 1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide

1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide (PubChem CID 107963606) has the molecular formula C10H11Cl2N3O2S and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide
PubChem CID107963606
Molecular FormulaC10H11Cl2N3O2S
Molecular Weight308.19 g/mol
Exact Mass306.99
IUPAC Name1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2N3O2S/c11-7-3-5(8(12)18-7)10(17)15-2-1-14-4-6(15)9(13)16/h3,6,14H,1-2,4H2,(H2,13,16)
InChIKeyDAAAYPOILQGDEZ-UHFFFAOYSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide (CID 107963606) is 1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide is NC(=O)C1CNCCN1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is DAAAYPOILQGDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2S/c11-7-3-5(8(12)18-7)10(17)15-2-1-14-4-6(15)9(13)16/h3,6,14H,1-2,4H2,(H2,13,16).
What are the key properties of 1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide?
1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 308.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 107963606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).