3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione

C15H25ClN2O2 — CID 106440716

IUPAC3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)(CC)N(CC(C)=CCl)C1=O
InChIInChI=1S/C15H25ClN2O2/c1-6-11(4)12-13(19)18(9-10(3)8-16)15(5,7-2)14(20)17-12/h8,11-12H,6-7,9H2,1-5H3,(H,17,20)
InChIKeyZZKKZUFKXFSZJC-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.67
Rot. Bonds5

About 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione

3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 106440716) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione
PubChem CID106440716
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)(CC)N(CC(C)=CCl)C1=O
InChIInChI=1S/C15H25ClN2O2/c1-6-11(4)12-13(19)18(9-10(3)8-16)15(5,7-2)14(20)17-12/h8,11-12H,6-7,9H2,1-5H3,(H,17,20)
InChIKeyZZKKZUFKXFSZJC-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64901959
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione
CID 106440709
3-butan-2-yl-6,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64901946
3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107902215
1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874004
1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 106440626
3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64902150
1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64903675
3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione
CID 65460488
3-butan-2-yl-6-cyclopropyl-1-(3-methoxypropyl)-6-methylpiperazine-2,5-dione
CID 64901198
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine
CID 106440446
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107898298

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione (CID 106440716) is 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(C)(CC)N(CC(C)=CCl)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is ZZKKZUFKXFSZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-6-11(4)12-13(19)18(9-10(3)8-16)15(5,7-2)14(20)17-12/h8,11-12H,6-7,9H2,1-5H3,(H,17,20).
What are the key properties of 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione?
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 300.83 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 106440716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).