4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one

C16H22N2O3 — CID 110709007

IUPAC4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one
SMILESCc1ccc(OCC(=O)N2CCN(C(C)C)C(=O)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-12(2)18-9-8-17(10-15(18)19)16(20)11-21-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyMFAHPJBLGUBZRL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.45
Rot. Bonds4

About 4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one

4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one (PubChem CID 110709007) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one
PubChem CID110709007
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one
SMILESCc1ccc(OCC(=O)N2CCN(C(C)C)C(=O)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-12(2)18-9-8-17(10-15(18)19)16(20)11-21-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyMFAHPJBLGUBZRL-UHFFFAOYSA-N
XLogP1.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one
CID 110708995
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708969
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 806922
1-[4-(3-methylbutyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113075017
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2,2,2-trifluoro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533453
4-chloro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108569907
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one (CID 110709007) is 4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one is Cc1ccc(OCC(=O)N2CCN(C(C)C)C(=O)C2)cc1.
What is the InChIKey of 4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one?
The InChIKey is MFAHPJBLGUBZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)18-9-8-17(10-15(18)19)16(20)11-21-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one?
4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110709007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).