3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione

C14H26N2O2 — CID 64969958

IUPAC3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(CCCC(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-5-14(6-2)13(18)16(10-12(17)15-14)9-7-8-11(3)4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyVORUPSQFWRUPTF-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds6

About 3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione

3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione (PubChem CID 64969958) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
PubChem CID64969958
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(CCCC(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-5-14(6-2)13(18)16(10-12(17)15-14)9-7-8-11(3)4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyVORUPSQFWRUPTF-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970582
3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970606
3,3-diethyl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327206
4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970002
3,3-diethyl-7-methyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
CID 83169004
3,3-diethyl-1-(2-ethylsulfinylethyl)piperazine-2,5-dione
CID 113495315
9-(7-methyloctyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107818476
3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170452
1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64882149
1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione
CID 64963911
3,3-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627721
1-(cyclopentylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64884500

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione (CID 64969958) is 3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione is CCC1(CC)NC(=O)CN(CCCC(C)C)C1=O.
What is the InChIKey of 3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione?
The InChIKey is VORUPSQFWRUPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-14(6-2)13(18)16(10-12(17)15-14)9-7-8-11(3)4/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione?
3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione is sourced from PubChem (CID 64969958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).