1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione

C16H30N2O2 — CID 102908614

IUPAC1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(CC(C(C)C)C(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-10(2)7-14-16(20)18(9-15(19)17-14)8-13(11(3)4)12(5)6/h10-14H,7-9H2,1-6H3,(H,17,19)
InChIKeyCPQYOKFYXHUZBW-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.29
Rot. Bonds6

About 1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione

1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 102908614) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID102908614
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(CC(C(C)C)C(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-10(2)7-14-16(20)18(9-15(19)17-14)8-13(11(3)4)12(5)6/h10-14H,7-9H2,1-6H3,(H,17,19)
InChIKeyCPQYOKFYXHUZBW-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64968689
3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
CID 64879391
1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879394
1-[(2-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 107420963
1-[(3-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 107415635
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64879773
1-(2-cyclohexyloxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971621
1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 65491574
1-(2-ethoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 114944458
1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967471
1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960795
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879023

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 102908614) is 1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(CC(C(C)C)C(C)C)C1=O.
What is the InChIKey of 1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is CPQYOKFYXHUZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-10(2)7-14-16(20)18(9-15(19)17-14)8-13(11(3)4)12(5)6/h10-14H,7-9H2,1-6H3,(H,17,19).
What are the key properties of 1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 102908614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).