1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone

C21H24N2O3 — CID 110366355

IUPAC1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-17-7-9-18(10-8-17)20(24)15-22-11-13-23(14-12-22)21(25)16-26-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyMPNRXZBNWNRCDG-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.40
Rot. Bonds6

About 1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone

1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone (PubChem CID 110366355) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
PubChem CID110366355
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-17-7-9-18(10-8-17)20(24)15-22-11-13-23(14-12-22)21(25)16-26-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyMPNRXZBNWNRCDG-UHFFFAOYSA-N
XLogP2.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110366791
phenyl 4-[2-(4-methylphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110366380
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanethioamide
CID 63336504
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110358802
1-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 55372379
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110366673
2-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050356

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone (CID 110366355) is 1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone is Cc1ccc(C(=O)CN2CCN(C(=O)COc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
The InChIKey is MPNRXZBNWNRCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-17-7-9-18(10-8-17)20(24)15-22-11-13-23(14-12-22)21(25)16-26-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone has a molecular weight of 352.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110366355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).