4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one

C15H22N2O2 — CID 117023902

IUPAC4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one
SMILESCOc1ccccc1N1CC(C)(C)NC(=O)C1(C)C
InChIInChI=1S/C15H22N2O2/c1-14(2)10-17(15(3,4)13(18)16-14)11-8-6-7-9-12(11)19-5/h6-9H,10H2,1-5H3,(H,16,18)
InChIKeySQCFQCSABILRLW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.19
Rot. Bonds2

About 4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one

4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one (PubChem CID 117023902) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one
PubChem CID117023902
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one
SMILESCOc1ccccc1N1CC(C)(C)NC(=O)C1(C)C
InChIInChI=1S/C15H22N2O2/c1-14(2)10-17(15(3,4)13(18)16-14)11-8-6-7-9-12(11)19-5/h6-9H,10H2,1-5H3,(H,16,18)
InChIKeySQCFQCSABILRLW-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023693
3-(2-methoxyphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 61290839
4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 17233930
1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1380841
3-(2-methoxyphenyl)-1,5,5-trimethylimidazolidine-2,4-dione
CID 62819757
9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione
CID 115434508
4-(2-methoxyphenyl)morpholine-2,6-dione
CID 63779029
8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 19347342
4-(2,5-dimethoxyphenyl)-6,6-dimethylpiperazin-2-one
CID 117023988
2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017371
1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 122715416

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one?
The IUPAC name of 4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one (CID 117023902) is 4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one?
The canonical SMILES for 4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one is COc1ccccc1N1CC(C)(C)NC(=O)C1(C)C.
What is the InChIKey of 4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one?
The InChIKey is SQCFQCSABILRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2)10-17(15(3,4)13(18)16-14)11-8-6-7-9-12(11)19-5/h6-9H,10H2,1-5H3,(H,16,18).
What are the key properties of 4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one?
4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one is sourced from PubChem (CID 117023902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).