1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride

C13H23ClN4O3 — CID 119579540

IUPAC1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride
SMILESCCN1CCN(CC(=O)N2CCNC(C)C2)C(=O)C1=O.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-3-15-6-7-17(13(20)12(15)19)9-11(18)16-5-4-14-10(2)8-16;/h10,14H,3-9H2,1-2H3;1H
InChIKeyBWIQVPOXUSRPNR-UHFFFAOYSA-N
MW318.81 g/mol
LogP-1.08
Rot. Bonds3

About 1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride

1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride (PubChem CID 119579540) has the molecular formula C13H23ClN4O3 and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride.

Molecular Properties

Compound Name1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride
PubChem CID119579540
Molecular FormulaC13H23ClN4O3
Molecular Weight318.81 g/mol
Exact Mass318.15
IUPAC Name1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride
SMILESCCN1CCN(CC(=O)N2CCNC(C)C2)C(=O)C1=O.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-3-15-6-7-17(13(20)12(15)19)9-11(18)16-5-4-14-10(2)8-16;/h10,14H,3-9H2,1-2H3;1H
InChIKeyBWIQVPOXUSRPNR-UHFFFAOYSA-N
XLogP-1.08
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 5-1.08
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

1-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
CID 119380481
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CID 11355735
1-ethyl-4-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione
CID 119472577
1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
CID 119423717
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
CID 119260834
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119577661
3-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119576929
4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580889
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580841

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride?
The IUPAC name of 1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride (CID 119579540) is 1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride.
What is the SMILES notation for 1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride?
The canonical SMILES for 1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride is CCN1CCN(CC(=O)N2CCNC(C)C2)C(=O)C1=O.Cl.
What is the InChIKey of 1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride?
The InChIKey is BWIQVPOXUSRPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3.ClH/c1-3-15-6-7-17(13(20)12(15)19)9-11(18)16-5-4-14-10(2)8-16;/h10,14H,3-9H2,1-2H3;1H.
What are the key properties of 1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride?
1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride has a molecular weight of 318.81 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride is sourced from PubChem (CID 119579540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).