1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione

C12H21N3O2 — CID 117029785

IUPAC1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione
SMILESCN1CCNC(CCN2C(=O)CCCC2=O)C1
InChIInChI=1S/C12H21N3O2/c1-14-8-6-13-10(9-14)5-7-15-11(16)3-2-4-12(15)17/h10,13H,2-9H2,1H3
InChIKeyPWGMPARBUJIKSH-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.18
Rot. Bonds3

About 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione

1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione (PubChem CID 117029785) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione
PubChem CID117029785
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione
SMILESCN1CCNC(CCN2C(=O)CCCC2=O)C1
InChIInChI=1S/C12H21N3O2/c1-14-8-6-13-10(9-14)5-7-15-11(16)3-2-4-12(15)17/h10,13H,2-9H2,1H3
InChIKeyPWGMPARBUJIKSH-UHFFFAOYSA-N
XLogP-0.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one
CID 117029798
1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one
CID 116980735
4-ethyl-1-[2-(4-methylpiperazin-2-yl)ethyl]imidazolidin-2-one
CID 116980731
3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one
CID 83847703
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
2-[2-(4-methylpiperazin-2-yl)ethyl]-3H-isoindol-1-one
CID 117030142
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione (CID 117029785) is 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione is CN1CCNC(CCN2C(=O)CCCC2=O)C1.
What is the InChIKey of 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione?
The InChIKey is PWGMPARBUJIKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14-8-6-13-10(9-14)5-7-15-11(16)3-2-4-12(15)17/h10,13H,2-9H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione?
1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione has a molecular weight of 239.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 117029785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).