1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione

C12H20N2O2 — CID 64882149

IUPAC1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(CC2CC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-12(4-2)11(16)14(7-9-5-6-9)8-10(15)13-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyWLGLIQHXCNPGLO-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds4

About 1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione

1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione (PubChem CID 64882149) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
PubChem CID64882149
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(CC2CC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-12(4-2)11(16)14(7-9-5-6-9)8-10(15)13-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyWLGLIQHXCNPGLO-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64884500
3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione
CID 64963616
1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione
CID 64963911
3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619343
1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64963951
3,3-diethyl-1-(2-ethylsulfinylethyl)piperazine-2,5-dione
CID 113495315
1-cyclohexyl-3,3-diethylpiperazine-2,5-dione
CID 64958892
4-[(4-methylcyclohexyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970304
3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64969958
3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170452
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
3,3-diethyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine-2,5-dione
CID 79551117

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione (CID 64882149) is 1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione is CCC1(CC)NC(=O)CN(CC2CC2)C1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione?
The InChIKey is WLGLIQHXCNPGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-12(4-2)11(16)14(7-9-5-6-9)8-10(15)13-12/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione?
1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64882149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).