3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one

C16H22N2O3 — CID 63362540

IUPAC3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one
SMILESCc1ccc(OC(C)C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-5-7-13(8-6-11)21-12(2)14(19)18-10-9-17-15(20)16(18,3)4/h5-8,12H,9-10H2,1-4H3,(H,17,20)
InChIKeyBDHICJYZUZBYGN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.50
Rot. Bonds3

About 3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one

3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one (PubChem CID 63362540) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one
PubChem CID63362540
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one
SMILESCc1ccc(OC(C)C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-5-7-13(8-6-11)21-12(2)14(19)18-10-9-17-15(20)16(18,3)4/h5-8,12H,9-10H2,1-4H3,(H,17,20)
InChIKeyBDHICJYZUZBYGN-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 103726829
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
CID 120500452
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 94182170
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863923
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
4-[2-(4-phenylphenoxy)propanoyl]piperazin-2-one
CID 42957173
4-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethoxy]benzonitrile
CID 63362385
4-[3-(4-methoxyphenyl)sulfonylpropanoyl]-3,3-dimethylpiperazin-2-one
CID 16863885

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one (CID 63362540) is 3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one is Cc1ccc(OC(C)C(=O)N2CCNC(=O)C2(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one?
The InChIKey is BDHICJYZUZBYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-7-13(8-6-11)21-12(2)14(19)18-10-9-17-15(20)16(18,3)4/h5-8,12H,9-10H2,1-4H3,(H,17,20).
What are the key properties of 3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one?
3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one is sourced from PubChem (CID 63362540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).