[4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone

C14H14N2O2S2 — CID 1332056

IUPAC[4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H14N2O2S2/c17-13(11-3-9-19-10-11)15-4-6-16(7-5-15)14(18)12-2-1-8-20-12/h1-3,8-10H,4-7H2
InChIKeyQZQLIKFQCYEGDO-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.41
Rot. Bonds2

About [4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone

[4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 1332056) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID1332056
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name[4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H14N2O2S2/c17-13(11-3-9-19-10-11)15-4-6-16(7-5-15)14(18)12-2-1-8-20-12/h1-3,8-10H,4-7H2
InChIKeyQZQLIKFQCYEGDO-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 1332056) is [4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is QZQLIKFQCYEGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c17-13(11-3-9-19-10-11)15-4-6-16(7-5-15)14(18)12-2-1-8-20-12/h1-3,8-10H,4-7H2.
What are the key properties of [4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 306.41 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 1332056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).