3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione

C14H24N2O2 — CID 64960605

IUPAC3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)N(C(C)C2CC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-5-8(2)12-14(18)16(9(3)11-6-7-11)10(4)13(17)15-12/h8-12H,5-7H2,1-4H3,(H,15,17)
InChIKeyTUKJXRTTXSRLQA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds4

About 3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione

3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione (PubChem CID 64960605) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione
PubChem CID64960605
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)N(C(C)C2CC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-5-8(2)12-14(18)16(9(3)11-6-7-11)10(4)13(17)15-12/h8-12H,5-7H2,1-4H3,(H,15,17)
InChIKeyTUKJXRTTXSRLQA-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione with MolForge

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Related Compounds

1-(1-cyclopentylethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64972264
3-butan-2-yl-6-methyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione
CID 106329188
5-butan-2-yl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83253008
3-butan-2-yl-1-(2,3-dimethylbutyl)-6-methylpiperazine-2,5-dione
CID 64973180
1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione
CID 79452090
3-butan-2-yl-6-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960169
3-butan-2-yl-6-methyl-1-(1-methylcyclobutyl)piperazine-2,5-dione
CID 113486087
3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione
CID 64972207
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
3-butan-2-yl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881975
5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83252000
1-(1-cyclohexylethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64969309

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione (CID 64960605) is 3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(C)N(C(C)C2CC2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is TUKJXRTTXSRLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-8(2)12-14(18)16(9(3)11-6-7-11)10(4)13(17)15-12/h8-12H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione?
3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.55, 4 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-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64960605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).