2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

C23H27N3O5 — CID 55493171

IUPAC2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)COc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C23H27N3O5/c1-17(2)24-22(28)23(29)26-14-12-25(13-15-26)21(27)16-30-18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,24,28)
InChIKeyHCVKSROTFHTVKY-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.05
Rot. Bonds6

About 2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 55493171) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID55493171
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)COc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C23H27N3O5/c1-17(2)24-22(28)23(29)26-14-12-25(13-15-26)21(27)16-30-18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,24,28)
InChIKeyHCVKSROTFHTVKY-UHFFFAOYSA-N
XLogP2.05
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240
2-[4-[2-(3,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55597097
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide
CID 55800006
1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110798222
1-[4-(3-methylbutyl)piperazin-1-yl]-2-phenoxyethanone
CID 47043100
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 55493171) is 2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)COc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is HCVKSROTFHTVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-17(2)24-22(28)23(29)26-14-12-25(13-15-26)21(27)16-30-18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,24,28).
What are the key properties of 2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 425.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55493171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).