3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione

C14H18N2O2S — CID 64965061

IUPAC3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
SMILESCC(Cc1ccsc1)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C14H18N2O2S/c1-9(6-10-4-5-19-8-10)16-7-12(17)15-13(14(16)18)11-2-3-11/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyDRWIKENLKAGARM-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.42
Rot. Bonds4

About 3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione

3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione (PubChem CID 64965061) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
PubChem CID64965061
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
SMILESCC(Cc1ccsc1)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C14H18N2O2S/c1-9(6-10-4-5-19-8-10)16-7-12(17)15-13(14(16)18)11-2-3-11/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyDRWIKENLKAGARM-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64879439
3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
CID 64972991
3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959665
3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958301
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970610
3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963749
6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
CID 64965037
8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947529
3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
CID 64879437
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione (CID 64965061) is 3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione is CC(Cc1ccsc1)N1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione?
The InChIKey is DRWIKENLKAGARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9(6-10-4-5-19-8-10)16-7-12(17)15-13(14(16)18)11-2-3-11/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of 3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione?
3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione has a molecular weight of 278.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64965061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).