1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione

C11H20N2O4 — CID 133188424

IUPAC1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NCC(=O)N1C(O)CCO
InChIInChI=1S/C11H20N2O4/c1-7(2)5-8-11(17)12-6-10(16)13(8)9(15)3-4-14/h7-9,14-15H,3-6H2,1-2H3,(H,12,17)
InChIKeyDUDIRDQAHFWKHO-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.94
Rot. Bonds5

About 1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione

1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 133188424) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID133188424
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NCC(=O)N1C(O)CCO
InChIInChI=1S/C11H20N2O4/c1-7(2)5-8-11(17)12-6-10(16)13(8)9(15)3-4-14/h7-9,14-15H,3-6H2,1-2H3,(H,12,17)
InChIKeyDUDIRDQAHFWKHO-UHFFFAOYSA-N
XLogP-0.94
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6S)-3-(hydroxymethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57396597
1-(Hydroxymethyl)-3,6-diisobutylpiperazine-2,5-dione
CID 245173
(3S,6S)-3-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 57403608
Cyclo-(Ile-Ser)
CID 130994208
2-Amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one hydrochloride
CID 47003200
4-(2-Amino-4-methylpentanoyl)piperazin-2-one
CID 24692587
N-[(3S)-1-hydroxy-4-methylpentan-3-yl]-2-methyl-2-piperidin-1-ylpropanamide
CID 164641472
(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 170128718
(3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 162944960
(6S)-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 101804025
(3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione
CID 162402850
2-Amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one
CID 24708951

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione (CID 133188424) is 1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1C(=O)NCC(=O)N1C(O)CCO.
What is the InChIKey of 1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is DUDIRDQAHFWKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)5-8-11(17)12-6-10(16)13(8)9(15)3-4-14/h7-9,14-15H,3-6H2,1-2H3,(H,12,17).
What are the key properties of 1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione?
1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 133188424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).