(5S)-5-(4-methoxyphenyl)piperazin-2-one

C11H14N2O2 — CID 124546630

IUPAC(5S)-5-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)CN2)cc1
InChIInChI=1S/C11H14N2O2/c1-15-9-4-2-8(3-5-9)10-6-13-11(14)7-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyIDEMMAJRIWORAD-SNVBAGLBSA-N
MW206.25 g/mol
LogP0.46
Rot. Bonds2

About (5S)-5-(4-methoxyphenyl)piperazin-2-one

(5S)-5-(4-methoxyphenyl)piperazin-2-one (PubChem CID 124546630) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenyl)piperazin-2-one
PubChem CID124546630
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(5S)-5-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)CN2)cc1
InChIInChI=1S/C11H14N2O2/c1-15-9-4-2-8(3-5-9)10-6-13-11(14)7-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyIDEMMAJRIWORAD-SNVBAGLBSA-N
XLogP0.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one
CID 97015434
4-(5-oxopiperazin-2-yl)benzoic acid
CID 139913294
5-(4-methoxyphenyl)piperidine-2,4-dione
CID 139466443
5-(4-methoxyphenyl)thiomorpholin-3-one
CID 105480891
(3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one
CID 132820348
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796
2-(4-methoxyphenyl)-1,4-diazocane
CID 2771778
2-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10107074
ethane;3-(4-methoxyphenyl)-1,4-diazepan-2-one
CID 171840578
5-(3-aminophenyl)piperazin-2-one
CID 172593542
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenyl)piperazin-2-one?
The IUPAC name of (5S)-5-(4-methoxyphenyl)piperazin-2-one (CID 124546630) is (5S)-5-(4-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for (5S)-5-(4-methoxyphenyl)piperazin-2-one?
The canonical SMILES for (5S)-5-(4-methoxyphenyl)piperazin-2-one is COc1ccc([C@H]2CNC(=O)CN2)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenyl)piperazin-2-one?
The InChIKey is IDEMMAJRIWORAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-9-4-2-8(3-5-9)10-6-13-11(14)7-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (5S)-5-(4-methoxyphenyl)piperazin-2-one?
(5S)-5-(4-methoxyphenyl)piperazin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 124546630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).