6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione

C16H28N2O3 — CID 116500126

IUPAC6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C2CC2)N(C(C)CCOC)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-16(6-2)15(20)18(11(3)9-10-21-4)13(12-7-8-12)14(19)17-16/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyMXOMFNBATYUYEN-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds7

About 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione

6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione (PubChem CID 116500126) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
PubChem CID116500126
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C2CC2)N(C(C)CCOC)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-16(6-2)15(20)18(11(3)9-10-21-4)13(12-7-8-12)14(19)17-16/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyMXOMFNBATYUYEN-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione (CID 116500126) is 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione is CCC1(CC)NC(=O)C(C2CC2)N(C(C)CCOC)C1=O.
What is the InChIKey of 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione?
The InChIKey is MXOMFNBATYUYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-16(6-2)15(20)18(11(3)9-10-21-4)13(12-7-8-12)14(19)17-16/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione?
6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 116500126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).