1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione

C9H16N2O3 — CID 167020514

IUPAC1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione
SMILESCCN1CCN(C(=O)C(=O)CO)CC1
InChIInChI=1S/C9H16N2O3/c1-2-10-3-5-11(6-4-10)9(14)8(13)7-12/h12H,2-7H2,1H3
InChIKeyBOZXZHGZDOCYQF-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.29
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione

1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione (PubChem CID 167020514) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione
PubChem CID167020514
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione
SMILESCCN1CCN(C(=O)C(=O)CO)CC1
InChIInChI=1S/C9H16N2O3/c1-2-10-3-5-11(6-4-10)9(14)8(13)7-12/h12H,2-7H2,1H3
InChIKeyBOZXZHGZDOCYQF-UHFFFAOYSA-N
XLogP-1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641
N-ethyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108521458
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione
CID 108504048
2-chloro-1-(4-ethyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 131059736
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
ethane;3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile
CID 144865507
N,4-diethylpiperazine-1-carboxamide
CID 22309084
1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione
CID 4167516
(2S)-2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 7986281
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione (CID 167020514) is 1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione is CCN1CCN(C(=O)C(=O)CO)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione?
The InChIKey is BOZXZHGZDOCYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-10-3-5-11(6-4-10)9(14)8(13)7-12/h12H,2-7H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione?
1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione has a molecular weight of 200.24 g/mol, XLogP of -1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione is sourced from PubChem (CID 167020514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).