3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione

C11H20N2O4 — CID 71434541

IUPAC3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)N(O)C(C(C)C)C(=O)N1O
InChIInChI=1S/C11H20N2O4/c1-5-7(4)9-11(15)12(16)8(6(2)3)10(14)13(9)17/h6-9,16-17H,5H2,1-4H3
InChIKeyHDDPDGAEWFESMF-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.87
Rot. Bonds3

About 3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione

3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 71434541) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
PubChem CID71434541
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)N(O)C(C(C)C)C(=O)N1O
InChIInChI=1S/C11H20N2O4/c1-5-7(4)9-11(15)12(16)8(6(2)3)10(14)13(9)17/h6-9,16-17H,5H2,1-4H3
InChIKeyHDDPDGAEWFESMF-UHFFFAOYSA-N
XLogP0.87
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
CID 162923938
(3R,6R,9S,12R,15R,18R)-3-[(2S)-butan-2-yl]-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 124823368
(3S,6R,9S,12R,15S,18R)-3,9,15-tris[(2S)-butan-2-yl]-4,6,10,12,16,18-hexamethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 101346562
3-butan-2-yl-6-(2-methylpropyl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione
CID 550216
5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 23875
6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione
CID 64885067
6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64901459
3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64900962
(3S)-3-[(2S)-butan-2-yl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163293286
3-benzyl-4-butan-2-yl-2,2-difluoro-1-oxonia-3-aza-2-boranuidacyclopentan-5-one
CID 135429928
3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 103465503

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione (CID 71434541) is 3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione is CCC(C)C1C(=O)N(O)C(C(C)C)C(=O)N1O.
What is the InChIKey of 3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is HDDPDGAEWFESMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-5-7(4)9-11(15)12(16)8(6(2)3)10(14)13(9)17/h6-9,16-17H,5H2,1-4H3.
What are the key properties of 3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione?
3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 71434541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).