3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one

C15H23N3O4S — CID 55436106

IUPAC3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one
SMILESO=C(CCN1CCSC1=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H23N3O4S/c19-13(3-4-18-9-11-23-15(18)21)16-5-7-17(8-6-16)14(20)12-2-1-10-22-12/h12H,1-11H2
InChIKeyGFHMBHAHXWWOAG-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.40
Rot. Bonds4

About 3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one

3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one (PubChem CID 55436106) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one
PubChem CID55436106
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one
SMILESO=C(CCN1CCSC1=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H23N3O4S/c19-13(3-4-18-9-11-23-15(18)21)16-5-7-17(8-6-16)14(20)12-2-1-10-22-12/h12H,1-11H2
InChIKeyGFHMBHAHXWWOAG-UHFFFAOYSA-N
XLogP0.40
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 60937548
3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 55379515
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110396133
methyl 4-oxo-4-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butanoate
CID 110797511
3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110366006
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one (CID 55436106) is 3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one is O=C(CCN1CCSC1=O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one?
The InChIKey is GFHMBHAHXWWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c19-13(3-4-18-9-11-23-15(18)21)16-5-7-17(8-6-16)14(20)12-2-1-10-22-12/h12H,1-11H2.
What are the key properties of 3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one?
3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one has a molecular weight of 341.43 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 55436106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).