3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione

C16H22N2O2S — CID 64965135

IUPAC3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione
SMILESCc1ccc(C(C)N2C(=O)C(C)(C3CC3)NC(=O)C2C)s1
InChIInChI=1S/C16H22N2O2S/c1-9-5-8-13(21-9)10(2)18-11(3)14(19)17-16(4,15(18)20)12-6-7-12/h5,8,10-12H,6-7H2,1-4H3,(H,17,19)
InChIKeyCSPHINVZVXPRKN-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.63
Rot. Bonds3

About 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione

3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64965135) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64965135
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione
SMILESCc1ccc(C(C)N2C(=O)C(C)(C3CC3)NC(=O)C2C)s1
InChIInChI=1S/C16H22N2O2S/c1-9-5-8-13(21-9)10(2)18-11(3)14(19)17-16(4,15(18)20)12-6-7-12/h5,8,10-12H,6-7H2,1-4H3,(H,17,19)
InChIKeyCSPHINVZVXPRKN-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione
CID 64964724
3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
CID 64964376
3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959074
3-cyclopropyl-3,6-dimethyl-1-(2-methylcyclopropyl)piperazine-2,5-dione
CID 64969515
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958019
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64970664
3-cyclopropyl-1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043459
1-(5-bromo-2-chlorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64970117
3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64886897
3-cyclopropyl-1-(1-cyclopropylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960714
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64886515

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione (CID 64965135) is 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione is Cc1ccc(C(C)N2C(=O)C(C)(C3CC3)NC(=O)C2C)s1.
What is the InChIKey of 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is CSPHINVZVXPRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-9-5-8-13(21-9)10(2)18-11(3)14(19)17-16(4,15(18)20)12-6-7-12/h5,8,10-12H,6-7H2,1-4H3,(H,17,19).
What are the key properties of 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione?
3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 306.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64965135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).