1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione

C12H19N3O3 — CID 119580581

IUPAC1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCC1CN(C(=O)CCN2C(=O)CCC2=O)CCN1
InChIInChI=1S/C12H19N3O3/c1-9-8-14(7-5-13-9)10(16)4-6-15-11(17)2-3-12(15)18/h9,13H,2-8H2,1H3
InChIKeyBZDNSMVLCPWSFW-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.65
Rot. Bonds3

About 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione

1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 119580581) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
PubChem CID119580581
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCC1CN(C(=O)CCN2C(=O)CCC2=O)CCN1
InChIInChI=1S/C12H19N3O3/c1-9-8-14(7-5-13-9)10(16)4-6-15-11(17)2-3-12(15)18/h9,13H,2-8H2,1H3
InChIKeyBZDNSMVLCPWSFW-UHFFFAOYSA-N
XLogP-0.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.65
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

3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 122147866
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 60667552
4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580889
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 43416050
1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 104974882
4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione
CID 62542610
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-2H-phthalazine-1,4-dione;hydrochloride
CID 119578366
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione (CID 119580581) is 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione is CC1CN(C(=O)CCN2C(=O)CCC2=O)CCN1.
What is the InChIKey of 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is BZDNSMVLCPWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-8-14(7-5-13-9)10(16)4-6-15-11(17)2-3-12(15)18/h9,13H,2-8H2,1H3.
What are the key properties of 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 253.30 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 119580581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).