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

C12H17N3OS — CID 66203885

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C12H17N3OS/c16-12(11-2-1-7-17-11)15-5-3-14(4-6-15)10-8-13-9-10/h1-2,7,10,13H,3-6,8-9H2
InChIKeyFYFHIGRQWBDHPP-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.48
Rot. Bonds2

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

[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 66203885) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID66203885
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C12H17N3OS/c16-12(11-2-1-7-17-11)15-5-3-14(4-6-15)10-8-13-9-10/h1-2,7,10,13H,3-6,8-9H2
InChIKeyFYFHIGRQWBDHPP-UHFFFAOYSA-N
XLogP0.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(2-adamantyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 764441
[4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2746394
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 75950255

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 66203885) is [4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is FYFHIGRQWBDHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-12(11-2-1-7-17-11)15-5-3-14(4-6-15)10-8-13-9-10/h1-2,7,10,13H,3-6,8-9H2.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 251.35 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 66203885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).