pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

C15H15N3O2S — CID 704291

IUPACpyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H15N3O2S/c19-14(12-3-5-16-6-4-12)17-7-9-18(10-8-17)15(20)13-2-1-11-21-13/h1-6,11H,7-10H2
InChIKeyOIPOPDBKNLXADR-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.74
Rot. Bonds2

About pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 704291) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID704291
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Namepyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H15N3O2S/c19-14(12-3-5-16-6-4-12)17-7-9-18(10-8-17)15(20)13-2-1-11-21-13/h1-6,11H,7-10H2
InChIKeyOIPOPDBKNLXADR-UHFFFAOYSA-N
XLogP1.74
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 704291) is pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccncc1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is OIPOPDBKNLXADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-14(12-3-5-16-6-4-12)17-7-9-18(10-8-17)15(20)13-2-1-11-21-13/h1-6,11H,7-10H2.
What are the key properties of pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 301.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 704291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).