1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione

C10H18N2O6 — CID 139972938

IUPAC1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione
SMILESO=C1C(=O)N(CC(O)CO)CCN1CC(O)CO
InChIInChI=1S/C10H18N2O6/c13-5-7(15)3-11-1-2-12(4-8(16)6-14)10(18)9(11)17/h7-8,13-16H,1-6H2
InChIKeyGPYDDOJKYSBCRU-UHFFFAOYSA-N
MW262.26 g/mol
LogP-3.64
Rot. Bonds6

About 1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione

1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione (PubChem CID 139972938) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione
PubChem CID139972938
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione
SMILESO=C1C(=O)N(CC(O)CO)CCN1CC(O)CO
InChIInChI=1S/C10H18N2O6/c13-5-7(15)3-11-1-2-12(4-8(16)6-14)10(18)9(11)17/h7-8,13-16H,1-6H2
InChIKeyGPYDDOJKYSBCRU-UHFFFAOYSA-N
XLogP-3.64
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-3.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione
CID 62928789
2-(2,3-dihydroxypropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422849
1-(2,3-dihydroxypropyl)pyrrolidin-3-one
CID 67368319
1-(2,3-dihydroxypropyl)-5-propan-2-ylazepan-2-one
CID 115773415
1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669465
1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
CID 131941282
1-[2,5-dihydroxy-6-(3-methylidene-2-oxopiperidin-1-yl)hexyl]-3-methylidenepiperidin-2-one
CID 122695336
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione
CID 113449235
[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 139972981
4-(2,3-dihydroxypropyl)morpholine-3,5-dione
CID 66176288
1-(2,3-dihydroxypropyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 59245379
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione?
The IUPAC name of 1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione (CID 139972938) is 1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione.
What is the SMILES notation for 1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione?
The canonical SMILES for 1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione is O=C1C(=O)N(CC(O)CO)CCN1CC(O)CO.
What is the InChIKey of 1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione?
The InChIKey is GPYDDOJKYSBCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c13-5-7(15)3-11-1-2-12(4-8(16)6-14)10(18)9(11)17/h7-8,13-16H,1-6H2.
What are the key properties of 1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione?
1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione has a molecular weight of 262.26 g/mol, XLogP of -3.64, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione is sourced from PubChem (CID 139972938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).