1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione

C14H20N2O2S — CID 65244542

IUPAC1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2cc(C)c(C)s2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-4-5-12-14(18)16(8-13(17)15-12)7-11-6-9(2)10(3)19-11/h6,12H,4-5,7-8H2,1-3H3,(H,15,17)
InChIKeyNTNUTQSNCIDWJU-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.99
Rot. Bonds4

About 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione

1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 65244542) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID65244542
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2cc(C)c(C)s2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-4-5-12-14(18)16(8-13(17)15-12)7-11-6-9(2)10(3)19-11/h6,12H,4-5,7-8H2,1-3H3,(H,15,17)
InChIKeyNTNUTQSNCIDWJU-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione
CID 65244363
1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879797
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880938
1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 81174153
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 114934698
1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64967691
1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one
CID 65245379
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879023
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
CID 79351163

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione (CID 65244542) is 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(Cc2cc(C)c(C)s2)C1=O.
What is the InChIKey of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is NTNUTQSNCIDWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-5-12-14(18)16(8-13(17)15-12)7-11-6-9(2)10(3)19-11/h6,12H,4-5,7-8H2,1-3H3,(H,15,17).
What are the key properties of 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione?
1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 65244542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).