6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione

C16H24N2O2S — CID 64966334

IUPAC6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(CCC)c2cccs2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-7-12-16(20)18(11(3)15(19)17-12)13(8-5-2)14-9-6-10-21-14/h6,9-13H,4-5,7-8H2,1-3H3,(H,17,19)
InChIKeyMJUJBDQRUMOYNN-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.10
Rot. Bonds6

About 6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione

6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione (PubChem CID 64966334) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
PubChem CID64966334
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(CCC)c2cccs2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-7-12-16(20)18(11(3)15(19)17-12)13(8-5-2)14-9-6-10-21-14/h6,9-13H,4-5,7-8H2,1-3H3,(H,17,19)
InChIKeyMJUJBDQRUMOYNN-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966297
6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966333
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963106
3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966440
6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
CID 64970920
6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
CID 64964662
3-methyl-1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966450
6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965569
1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64964702
1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione
CID 113499375

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione (CID 64966334) is 6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione is CCCC1NC(=O)C(C)N(C(CCC)c2cccs2)C1=O.
What is the InChIKey of 6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The InChIKey is MJUJBDQRUMOYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-7-12-16(20)18(11(3)15(19)17-12)13(8-5-2)14-9-6-10-21-14/h6,9-13H,4-5,7-8H2,1-3H3,(H,17,19).
What are the key properties of 6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64966334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).