ethane;1-(4-methylphenyl)piperazin-2-one

C13H20N2O — CID 142224264

IUPACethane;1-(4-methylphenyl)piperazin-2-one
SMILESCC.Cc1ccc(N2CCNCC2=O)cc1
InChIInChI=1S/C11H14N2O.C2H6/c1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;1-2/h2-5,12H,6-8H2,1H3;1-2H3
InChIKeyCUQMZAHRADAAMM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.96
Rot. Bonds1

About ethane;1-(4-methylphenyl)piperazin-2-one

ethane;1-(4-methylphenyl)piperazin-2-one (PubChem CID 142224264) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)piperazin-2-one
PubChem CID142224264
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Nameethane;1-(4-methylphenyl)piperazin-2-one
SMILESCC.Cc1ccc(N2CCNCC2=O)cc1
InChIInChI=1S/C11H14N2O.C2H6/c1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;1-2/h2-5,12H,6-8H2,1H3;1-2H3
InChIKeyCUQMZAHRADAAMM-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)piperazin-2-one
CID 86225191
1-(4-methoxyphenyl)piperazin-2-one
CID 15400020
1-(4-propan-2-yloxyphenyl)piperazin-2-one
CID 64567030
1-(4-isocyanatophenyl)piperazin-2-one
CID 169355004
1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
CID 155722107
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
1-(4-methylphenyl)piperazine-2,6-dione
CID 82112672
ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one
CID 144913210
1-(6-ethyl-3-pyridinyl)piperazin-2-one
CID 139539008
1-phenyl-1,4-diazepan-2-one
CID 69457460
1-(4-methoxyphenyl)-1,4-diazocan-2-one
CID 117016195

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of ethane;1-(4-methylphenyl)piperazin-2-one (CID 142224264) is ethane;1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for ethane;1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for ethane;1-(4-methylphenyl)piperazin-2-one is CC.Cc1ccc(N2CCNCC2=O)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)piperazin-2-one?
The InChIKey is CUQMZAHRADAAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C2H6/c1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;1-2/h2-5,12H,6-8H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)piperazin-2-one?
ethane;1-(4-methylphenyl)piperazin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 142224264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).