3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione

C17H32N2O2 — CID 90902073

IUPAC3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione
SMILESCC(C)CCC1C(=O)N(C)C(CC(C)C(C)C)C(=O)N1C
InChIInChI=1S/C17H32N2O2/c1-11(2)8-9-14-16(20)19(7)15(17(21)18(14)6)10-13(5)12(3)4/h11-15H,8-10H2,1-7H3
InChIKeyKYPGKTAWYCXCIB-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.77
Rot. Bonds6

About 3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione

3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione (PubChem CID 90902073) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione
PubChem CID90902073
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione
SMILESCC(C)CCC1C(=O)N(C)C(CC(C)C(C)C)C(=O)N1C
InChIInChI=1S/C17H32N2O2/c1-11(2)8-9-14-16(20)19(7)15(17(21)18(14)6)10-13(5)12(3)4/h11-15H,8-10H2,1-7H3
InChIKeyKYPGKTAWYCXCIB-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis(3,3-dichloro-2-methylpropyl)-1,4-dimethylpiperazine-2,5-dione
CID 73175243
bis(3-(3,3-dichloro-2-methylpropyl)-1,4-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione);1,4-dimethyl-3-(2-methylpropyl)-6-(3,3,3-trichloro-2-methylpropyl)piperazine-2,5-dione
CID 158548096
(3S,6S)-3-(3,3-dichloro-2-methylpropyl)-1,4-dimethyl-6-(3,3,3-trichloro-2-methylpropyl)piperazine-2,5-dione
CID 143943105
(3R,6R)-3-[(2S)-3,3-dichloro-2-methylpropyl]-1,4-dimethyl-6-[(2R)-3,3,3-trichloro-2-methylpropyl]piperazine-2,5-dione
CID 162936985
(7S,9aR)-8-methyl-2-(3-methylbutyl)-7-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56859758
(3S,6R,9S,12R,15S,18R,21S,24R)-12,24-dibenzyl-4,6,10,16,18,22-hexamethyl-3-(3-methylbutyl)-9,15,21-tris(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 126498875
(3S,6S,9S,12S,15S,18S,21R,24S)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 162892970
(3S,6S,9S,12S,15S)-1,7-dimethyl-3,6,9,12,15-pentakis(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 25112188
(6Z)-3-[(2S)-3,3-dichloro-2-methylpropyl]-6-[(2S)-3,3-dichloro-2-methylpropylidene]-1,4-dimethylpiperazine-2,5-dione
CID 45140277
3-(3,3-dichloro-2-methylpropyl)-6-(3,3-dichloro-2-methylpropylidene)-1,4-dimethylpiperazine-2,5-dione
CID 73192482
2-methyl-3-(4-methylpentyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83254538
2-(3-methylbutyl)cyclopentane-1,3-dione
CID 574490

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione?
The IUPAC name of 3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione (CID 90902073) is 3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione is CC(C)CCC1C(=O)N(C)C(CC(C)C(C)C)C(=O)N1C.
What is the InChIKey of 3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione?
The InChIKey is KYPGKTAWYCXCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-11(2)8-9-14-16(20)19(7)15(17(21)18(14)6)10-13(5)12(3)4/h11-15H,8-10H2,1-7H3.
What are the key properties of 3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione?
3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutyl)-1,4-dimethyl-6-(3-methylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 90902073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).