1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione

C12H22N2O2 — CID 64957214

IUPAC1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCCC(C)N1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-6-9(4)14-7-10(15)13-11(8(2)3)12(14)16/h8-9,11H,5-7H2,1-4H3,(H,13,15)
InChIKeyISIZVWLETBZONY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds4

About 1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione

1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64957214) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64957214
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCCC(C)N1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-6-9(4)14-7-10(15)13-11(8(2)3)12(14)16/h8-9,11H,5-7H2,1-4H3,(H,13,15)
InChIKeyISIZVWLETBZONY-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965166
1-(4-methylpentan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960093
1-(1-cyclopropylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64971884
3-tert-butyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957328
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970610
1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965620
1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969050
1-(1-cyclopentylethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64972256
1-pentan-2-ylimidazolidine-2,4-dione
CID 79777351
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559
1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64880912

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione (CID 64957214) is 1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione is CCCC(C)N1CC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is ISIZVWLETBZONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-6-9(4)14-7-10(15)13-11(8(2)3)12(14)16/h8-9,11H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione?
1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64957214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).