3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione

C14H23N3O3 — CID 127039282

IUPAC3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
SMILESCC(C(=O)N1CCN(C)CC1)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C14H23N3O3/c1-10(12(19)16-7-5-15(4)6-8-16)17-11(18)9-14(2,3)13(17)20/h10H,5-9H2,1-4H3
InChIKeyMBQRMICWVBSKDN-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.07
Rot. Bonds2

About 3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione (PubChem CID 127039282) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
PubChem CID127039282
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
SMILESCC(C(=O)N1CCN(C)CC1)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C14H23N3O3/c1-10(12(19)16-7-5-15(4)6-8-16)17-11(18)9-14(2,3)13(17)20/h10H,5-9H2,1-4H3
InChIKeyMBQRMICWVBSKDN-UHFFFAOYSA-N
XLogP-0.07
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione (CID 127039282) is 3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione is CC(C(=O)N1CCN(C)CC1)N1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
The InChIKey is MBQRMICWVBSKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(12(19)16-7-5-15(4)6-8-16)17-11(18)9-14(2,3)13(17)20/h10H,5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 127039282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).