(6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione

C14H24N2O2 — CID 58443709

IUPAC(6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(C)/C=C1/C(=O)N(C)C(CC(C)C)C(=O)N1C
InChIInChI=1S/C14H24N2O2/c1-9(2)7-11-13(17)16(6)12(8-10(3)4)14(18)15(11)5/h7,9-10,12H,8H2,1-6H3/b11-7-
InChIKeyPLNGTWWDIQCXJS-XFFZJAGNSA-N
MW252.36 g/mol
LogP1.87
Rot. Bonds3

About (6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione

(6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione (PubChem CID 58443709) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione
PubChem CID58443709
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(C)/C=C1/C(=O)N(C)C(CC(C)C)C(=O)N1C
InChIInChI=1S/C14H24N2O2/c1-9(2)7-11-13(17)16(6)12(8-10(3)4)14(18)15(11)5/h7,9-10,12H,8H2,1-6H3/b11-7-
InChIKeyPLNGTWWDIQCXJS-XFFZJAGNSA-N
XLogP1.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione?
The IUPAC name of (6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione (CID 58443709) is (6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione.
What is the SMILES notation for (6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione?
The canonical SMILES for (6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione is CC(C)/C=C1/C(=O)N(C)C(CC(C)C)C(=O)N1C.
What is the InChIKey of (6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione?
The InChIKey is PLNGTWWDIQCXJS-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)7-11-13(17)16(6)12(8-10(3)4)14(18)15(11)5/h7,9-10,12H,8H2,1-6H3/b11-7-.
What are the key properties of (6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione?
(6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1,4-dimethyl-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione is sourced from PubChem (CID 58443709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).