4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C15H17N3O2S2 — CID 166184745

IUPAC4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H17N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1-4,9-10H,5-8,11H2,(H,16,20)
InChIKeySEJPAIIMDWAFGL-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.48
Rot. Bonds3

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

4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 166184745) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID166184745
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H17N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1-4,9-10H,5-8,11H2,(H,16,20)
InChIKeySEJPAIIMDWAFGL-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 166184745) is 4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1cccs1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is SEJPAIIMDWAFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1-4,9-10H,5-8,11H2,(H,16,20).
What are the key properties of 4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 166184745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).