1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

C16H24N2O2S — CID 65244955

IUPAC1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1Cc1cc(C)c(C)s1
InChIInChI=1S/C16H24N2O2S/c1-6-13-15(19)17-14(9(2)3)16(20)18(13)8-12-7-10(4)11(5)21-12/h7,9,13-14H,6,8H2,1-5H3,(H,17,19)
InChIKeyLOXXKSSKSTYTMQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.63
Rot. Bonds4

About 1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 65244955) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID65244955
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1Cc1cc(C)c(C)s1
InChIInChI=1S/C16H24N2O2S/c1-6-13-15(19)17-14(9(2)3)16(20)18(13)8-12-7-10(4)11(5)21-12/h7,9,13-14H,6,8H2,1-5H3,(H,17,19)
InChIKeyLOXXKSSKSTYTMQ-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (CID 65244955) is 1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1Cc1cc(C)c(C)s1.
What is the InChIKey of 1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is LOXXKSSKSTYTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-6-13-15(19)17-14(9(2)3)16(20)18(13)8-12-7-10(4)11(5)21-12/h7,9,13-14H,6,8H2,1-5H3,(H,17,19).
What are the key properties of 1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.63, 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]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 65244955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).