1,3-dimethylpiperazin-2-one;ethane

C8H18N2O — CID 163399035

IUPAC1,3-dimethylpiperazin-2-one;ethane
SMILESCC.CC1NCCN(C)C1=O
InChIInChI=1S/C6H12N2O.C2H6/c1-5-6(9)8(2)4-3-7-5;1-2/h5,7H,3-4H2,1-2H3;1-2H3
InChIKeyPHHIKMOFJNTALQ-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.46
Rot. Bonds

About 1,3-dimethylpiperazin-2-one;ethane

1,3-dimethylpiperazin-2-one;ethane (PubChem CID 163399035) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,3-dimethylpiperazin-2-one;ethane.

Molecular Properties

Compound Name1,3-dimethylpiperazin-2-one;ethane
PubChem CID163399035
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1,3-dimethylpiperazin-2-one;ethane
SMILESCC.CC1NCCN(C)C1=O
InChIInChI=1S/C6H12N2O.C2H6/c1-5-6(9)8(2)4-3-7-5;1-2/h5,7H,3-4H2,1-2H3;1-2H3
InChIKeyPHHIKMOFJNTALQ-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-1,4-diazepan-2-one;ethane
CID 143004866
(5S)-3,5-dimethylimidazolidin-4-one
CID 12794136
3,5-dimethylimidazolidin-4-one;methanol
CID 143342148
3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one
CID 115102147
1-cyclobutyl-3-methylpiperazin-2-one
CID 115101959
3-methyl-1-nonylpiperazin-2-one
CID 63608174
1-(2-ethylsulfonylethyl)-3-methylpiperazin-2-one
CID 106729384
1-(3-methoxypropyl)-3-methylpiperazin-2-one
CID 63608171
1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one
CID 63258997
3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride
CID 154852977
4-(3-methyl-2-oxopiperazin-1-yl)benzonitrile
CID 83534275
1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one
CID 65097276

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperazin-2-one;ethane?
The IUPAC name of 1,3-dimethylpiperazin-2-one;ethane (CID 163399035) is 1,3-dimethylpiperazin-2-one;ethane.
What is the SMILES notation for 1,3-dimethylpiperazin-2-one;ethane?
The canonical SMILES for 1,3-dimethylpiperazin-2-one;ethane is CC.CC1NCCN(C)C1=O.
What is the InChIKey of 1,3-dimethylpiperazin-2-one;ethane?
The InChIKey is PHHIKMOFJNTALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H6/c1-5-6(9)8(2)4-3-7-5;1-2/h5,7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1,3-dimethylpiperazin-2-one;ethane?
1,3-dimethylpiperazin-2-one;ethane has a molecular weight of 158.24 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperazin-2-one;ethane is sourced from PubChem (CID 163399035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).