3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one

C14H18N2O3 — CID 63078352

IUPAC3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one
SMILESCc1ccc(OCC(=O)N2CCNC(=O)C2C)cc1
InChIInChI=1S/C14H18N2O3/c1-10-3-5-12(6-4-10)19-9-13(17)16-8-7-15-14(18)11(16)2/h3-6,11H,7-9H2,1-2H3,(H,15,18)
InChIKeyWBCANBMGKSTRIF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.72
Rot. Bonds3

About 3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one

3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one (PubChem CID 63078352) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one
PubChem CID63078352
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one
SMILESCc1ccc(OCC(=O)N2CCNC(=O)C2C)cc1
InChIInChI=1S/C14H18N2O3/c1-10-3-5-12(6-4-10)19-9-13(17)16-8-7-15-14(18)11(16)2/h3-6,11H,7-9H2,1-2H3,(H,15,18)
InChIKeyWBCANBMGKSTRIF-UHFFFAOYSA-N
XLogP0.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63373690
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazine-2,6-dione
CID 66063520
4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63606388
1-(7-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246411
4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
CID 55217652
3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one
CID 141330643
ethyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4944950
(3R)-4-[2-(4-ethoxyphenyl)acetyl]-3-methyl-1,4-diazepan-2-one
CID 99791509
methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one (CID 63078352) is 3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one is Cc1ccc(OCC(=O)N2CCNC(=O)C2C)cc1.
What is the InChIKey of 3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one?
The InChIKey is WBCANBMGKSTRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-3-5-12(6-4-10)19-9-13(17)16-8-7-15-14(18)11(16)2/h3-6,11H,7-9H2,1-2H3,(H,15,18).
What are the key properties of 3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one?
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one is sourced from PubChem (CID 63078352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).