1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one

C12H21N3O2S — CID 110799962

IUPAC1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C12H21N3O2S/c1-2-3-11(16)14-4-6-15(7-5-14)12(17)10-8-18-9-13-10/h10,13H,2-9H2,1H3
InChIKeyVMLHGYXSOMZWIX-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.12
Rot. Bonds3

About 1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one

1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 110799962) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID110799962
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C12H21N3O2S/c1-2-3-11(16)14-4-6-15(7-5-14)12(17)10-8-18-9-13-10/h10,13H,2-9H2,1H3
InChIKeyVMLHGYXSOMZWIX-UHFFFAOYSA-N
XLogP0.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 54916318
3,3-dimethyl-1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110809460
3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110803631
4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 119312341
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
N-propyl-1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxamide
CID 119278298
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119958530
2-(2,4-dimethylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110814539
2-methyl-1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297836
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939
5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110799961
(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119275333

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one (CID 110799962) is 1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of 1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is VMLHGYXSOMZWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-3-11(16)14-4-6-15(7-5-14)12(17)10-8-18-9-13-10/h10,13H,2-9H2,1H3.
What are the key properties of 1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one?
1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 271.39 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110799962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).