4-benzyl-1-ethylpiperazin-2-one;ethane

C15H24N2O — CID 143408188

IUPAC4-benzyl-1-ethylpiperazin-2-one;ethane
SMILESCC.CCN1CCN(Cc2ccccc2)CC1=O
InChIInChI=1S/C13H18N2O.C2H6/c1-2-15-9-8-14(11-13(15)16)10-12-6-4-3-5-7-12;1-2/h3-7H,2,8-11H2,1H3;1-2H3
InChIKeyVBILBELEVQVPGT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.38
Rot. Bonds3

About 4-benzyl-1-ethylpiperazin-2-one;ethane

4-benzyl-1-ethylpiperazin-2-one;ethane (PubChem CID 143408188) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-benzyl-1-ethylpiperazin-2-one;ethane.

Molecular Properties

Compound Name4-benzyl-1-ethylpiperazin-2-one;ethane
PubChem CID143408188
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-benzyl-1-ethylpiperazin-2-one;ethane
SMILESCC.CCN1CCN(Cc2ccccc2)CC1=O
InChIInChI=1S/C13H18N2O.C2H6/c1-2-15-9-8-14(11-13(15)16)10-12-6-4-3-5-7-12;1-2/h3-7H,2,8-11H2,1H3;1-2H3
InChIKeyVBILBELEVQVPGT-UHFFFAOYSA-N
XLogP2.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569
4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one
CID 167436677
1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
CID 146080007
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one
CID 154575642
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
4-benzyl-1-butylpiperazine-2,6-dione
CID 58822020
1-ethyl-4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-2-one
CID 126788559
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one
CID 6487972

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-ethylpiperazin-2-one;ethane?
The IUPAC name of 4-benzyl-1-ethylpiperazin-2-one;ethane (CID 143408188) is 4-benzyl-1-ethylpiperazin-2-one;ethane.
What is the SMILES notation for 4-benzyl-1-ethylpiperazin-2-one;ethane?
The canonical SMILES for 4-benzyl-1-ethylpiperazin-2-one;ethane is CC.CCN1CCN(Cc2ccccc2)CC1=O.
What is the InChIKey of 4-benzyl-1-ethylpiperazin-2-one;ethane?
The InChIKey is VBILBELEVQVPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C2H6/c1-2-15-9-8-14(11-13(15)16)10-12-6-4-3-5-7-12;1-2/h3-7H,2,8-11H2,1H3;1-2H3.
What are the key properties of 4-benzyl-1-ethylpiperazin-2-one;ethane?
4-benzyl-1-ethylpiperazin-2-one;ethane has a molecular weight of 248.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-ethylpiperazin-2-one;ethane is sourced from PubChem (CID 143408188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).