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

C16H28N2O3 — CID 116500131

IUPAC3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCOCCC(C)N1C(=O)C(C2CC2)NC(=O)C1CC(C)C
InChIInChI=1S/C16H28N2O3/c1-10(2)9-13-15(19)17-14(12-5-6-12)16(20)18(13)11(3)7-8-21-4/h10-14H,5-9H2,1-4H3,(H,17,19)
InChIKeyHDUPKTCAFCMOAE-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.56
Rot. Bonds7

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

3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 116500131) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID116500131
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCOCCC(C)N1C(=O)C(C2CC2)NC(=O)C1CC(C)C
InChIInChI=1S/C16H28N2O3/c1-10(2)9-13-15(19)17-14(12-5-6-12)16(20)18(13)11(3)7-8-21-4/h10-14H,5-9H2,1-4H3,(H,17,19)
InChIKeyHDUPKTCAFCMOAE-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)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

Related Compounds

3-cyclopropyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64886762
3-cyclopropyl-6-ethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957333
3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
CID 64972991
6-ethyl-1-(4-methoxybutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64973001
3-cyclopropyl-6-ethyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64968978
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
3-cyclopropyl-1-(5-methylhexan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64971527
1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione
CID 116500053
3-ethyl-1-(4-methoxybutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973083
1-(4-methoxybutan-2-yl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 116500153
8-cyclopropyl-6-(4-methoxybutan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116500137
3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932486

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione (CID 116500131) is 3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione is COCCC(C)N1C(=O)C(C2CC2)NC(=O)C1CC(C)C.
What is the InChIKey of 3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is HDUPKTCAFCMOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10(2)9-13-15(19)17-14(12-5-6-12)16(20)18(13)11(3)7-8-21-4/h10-14H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione?
3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 116500131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).