1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione

C12H18N4O4 — CID 574632

IUPAC1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione
SMILESCN1CC(=O)N(CC2C(=O)N(C)CC(=O)N2C)CC1=O
InChIInChI=1S/C12H18N4O4/c1-13-6-11(19)16(7-9(13)17)4-8-12(20)14(2)5-10(18)15(8)3/h8H,4-7H2,1-3H3
InChIKeyOXKODSMVPZPNQH-UHFFFAOYSA-N
MW282.30 g/mol
LogP-2.41
Rot. Bonds2

About 1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione

1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione (PubChem CID 574632) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione
PubChem CID574632
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione
SMILESCN1CC(=O)N(CC2C(=O)N(C)CC(=O)N2C)CC1=O
InChIInChI=1S/C12H18N4O4/c1-13-6-11(19)16(7-9(13)17)4-8-12(20)14(2)5-10(18)15(8)3/h8H,4-7H2,1-3H3
InChIKeyOXKODSMVPZPNQH-UHFFFAOYSA-N
XLogP-2.41
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-2.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione (CID 574632) is 1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione is CN1CC(=O)N(CC2C(=O)N(C)CC(=O)N2C)CC1=O.
What is the InChIKey of 1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione?
The InChIKey is OXKODSMVPZPNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-13-6-11(19)16(7-9(13)17)4-8-12(20)14(2)5-10(18)15(8)3/h8H,4-7H2,1-3H3.
What are the key properties of 1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione?
1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione has a molecular weight of 282.30 g/mol, XLogP of -2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 574632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).