3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione

C15H29N3O2 — CID 64960213

IUPAC3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(CCCN(C)C)C1=O
InChIInChI=1S/C15H29N3O2/c1-6-11(3)13-15(20)18(10-8-9-17(4)5)12(7-2)14(19)16-13/h11-13H,6-10H2,1-5H3,(H,16,19)
InChIKeyXZRNFBXNURVPDK-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.09
Rot. Bonds7

About 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione

3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione (PubChem CID 64960213) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione
PubChem CID64960213
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(CCCN(C)C)C1=O
InChIInChI=1S/C15H29N3O2/c1-6-11(3)13-15(20)18(10-8-9-17(4)5)12(7-2)14(19)16-13/h11-13H,6-10H2,1-5H3,(H,16,19)
InChIKeyXZRNFBXNURVPDK-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione
CID 64958605
3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
CID 64902153
3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64903086
3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902911
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
3-butan-2-yl-6-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141854
3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
CID 64902709
3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79360326
5-butan-2-yl-2-cyclopentyl-3-[2-(dimethylamino)ethyl]imidazolidin-4-one
CID 83250489
3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82926807
3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958754

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione (CID 64960213) is 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(CC)N(CCCN(C)C)C1=O.
What is the InChIKey of 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione?
The InChIKey is XZRNFBXNURVPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-6-11(3)13-15(20)18(10-8-9-17(4)5)12(7-2)14(19)16-13/h11-13H,6-10H2,1-5H3,(H,16,19).
What are the key properties of 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione?
3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione has a molecular weight of 283.42 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64960213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).