3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one

C13H18N2O2 — CID 116817312

IUPAC3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one
SMILESCOc1cccc(CC2NCCN(C)C2=O)c1
InChIInChI=1S/C13H18N2O2/c1-15-7-6-14-12(13(15)16)9-10-4-3-5-11(8-10)17-2/h3-5,8,12,14H,6-7,9H2,1-2H3
InChIKeyUIZLWVKUJLWMFJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.67
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one

3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one (PubChem CID 116817312) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one
PubChem CID116817312
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one
SMILESCOc1cccc(CC2NCCN(C)C2=O)c1
InChIInChI=1S/C13H18N2O2/c1-15-7-6-14-12(13(15)16)9-10-4-3-5-11(8-10)17-2/h3-5,8,12,14H,6-7,9H2,1-2H3
InChIKeyUIZLWVKUJLWMFJ-UHFFFAOYSA-N
XLogP0.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
CID 95813038
(3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one
CID 95813177
3-[(3,5-dimethylphenyl)methyl]-1-methylpiperazin-2-one
CID 116817295
3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
CID 110252089
(3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
CID 95813138
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 129391976
4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
CID 110708267
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
1-[(3-methoxyphenyl)methylsulfonyl]-1,4-diazepane
CID 119963242
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
CID 11580724

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one (CID 116817312) is 3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one is COc1cccc(CC2NCCN(C)C2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one?
The InChIKey is UIZLWVKUJLWMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-7-6-14-12(13(15)16)9-10-4-3-5-11(8-10)17-2/h3-5,8,12,14H,6-7,9H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one?
3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 116817312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).