(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione

C10H18N2O4 — CID 12789509

IUPAC(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione
SMILESCCC[C@@H]1C(=O)N(O)[C@H](CCC)C(=O)N1O
InChIInChI=1S/C10H18N2O4/c1-3-5-7-9(13)12(16)8(6-4-2)10(14)11(7)15/h7-8,15-16H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyXDUVTWPGVMVSMP-HTQZYQBOSA-N
MW230.26 g/mol
LogP0.77
Rot. Bonds4

About (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione

(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione (PubChem CID 12789509) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione
PubChem CID12789509
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione
SMILESCCC[C@@H]1C(=O)N(O)[C@H](CCC)C(=O)N1O
InChIInChI=1S/C10H18N2O4/c1-3-5-7-9(13)12(16)8(6-4-2)10(14)11(7)15/h7-8,15-16H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyXDUVTWPGVMVSMP-HTQZYQBOSA-N
XLogP0.77
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-1-hydroxy-6-propylpiperidin-4-one
CID 154933974
(3S,5S)-5-methyl-2-oxo-3-propylmorpholine-4-carboxylic acid
CID 68809180
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
3-butyl-1-ethylaziridin-2-one
CID 18006250
1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 106440615
6-propylbicyclo[3.1.0]hexan-3-one
CID 72536529
1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone
CID 102405794
3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
CID 64886190
6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione
CID 131857238
5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione
CID 70446933
4-methyl-3-propylpiperazine-2,6-dione
CID 126984968
4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one
CID 142041081

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione?
The IUPAC name of (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione (CID 12789509) is (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione.
What is the SMILES notation for (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione?
The canonical SMILES for (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione is CCC[C@@H]1C(=O)N(O)[C@H](CCC)C(=O)N1O.
What is the InChIKey of (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione?
The InChIKey is XDUVTWPGVMVSMP-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-5-7-9(13)12(16)8(6-4-2)10(14)11(7)15/h7-8,15-16H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione?
(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione has a molecular weight of 230.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione is sourced from PubChem (CID 12789509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).