1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone

C13H19N3OS — CID 66202821

IUPAC1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H19N3OS/c17-13(7-11-1-6-18-10-11)16-8-12(9-16)15-4-2-14-3-5-15/h1,6,10,12,14H,2-5,7-9H2
InChIKeyGUSXKUAUEAXPQN-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.41
Rot. Bonds3

About 1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone

1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone (PubChem CID 66202821) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
PubChem CID66202821
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H19N3OS/c17-13(7-11-1-6-18-10-11)16-8-12(9-16)15-4-2-14-3-5-15/h1,6,10,12,14H,2-5,7-9H2
InChIKeyGUSXKUAUEAXPQN-UHFFFAOYSA-N
XLogP0.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66195575
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853
1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine
CID 66194837
1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91792162
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
CID 136527078
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
1-[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 72929801
1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
CID 116559574

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone (CID 66202821) is 1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone?
The InChIKey is GUSXKUAUEAXPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-13(7-11-1-6-18-10-11)16-8-12(9-16)15-4-2-14-3-5-15/h1,6,10,12,14H,2-5,7-9H2.
What are the key properties of 1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone?
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone has a molecular weight of 265.38 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 66202821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).