1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione

C17H32N2O2 — CID 83148273

IUPAC1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC(C)C)N(CCCC(C)C)C1=O
InChIInChI=1S/C17H32N2O2/c1-6-8-14-17(21)19(10-7-9-12(2)3)15(11-13(4)5)16(20)18-14/h12-15H,6-11H2,1-5H3,(H,18,20)
InChIKeyKRJYMIKTBNHMJM-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.96
Rot. Bonds8

About 1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione

1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione (PubChem CID 83148273) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
PubChem CID83148273
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC(C)C)N(CCCC(C)C)C1=O
InChIInChI=1S/C17H32N2O2/c1-6-8-14-17(21)19(10-7-9-12(2)3)15(11-13(4)5)16(20)18-14/h12-15H,6-11H2,1-5H3,(H,18,20)
InChIKeyKRJYMIKTBNHMJM-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
CID 83168014
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
CID 64873376
3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64903086
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione (CID 83148273) is 1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC(C)C)N(CCCC(C)C)C1=O.
What is the InChIKey of 1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
The InChIKey is KRJYMIKTBNHMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-8-14-17(21)19(10-7-9-12(2)3)15(11-13(4)5)16(20)18-14/h12-15H,6-11H2,1-5H3,(H,18,20).
What are the key properties of 1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 83148273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).