2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide

C21H25N3O4 — CID 38858953

IUPAC2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H25N3O4/c22-21(26)18-8-4-5-9-19(18)28-16-20(25)24-12-10-23(11-13-24)14-15-27-17-6-2-1-3-7-17/h1-9H,10-16H2,(H2,22,26)
InChIKeyRKXUJBHMEFBDPF-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.39
Rot. Bonds8

About 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide

2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide (PubChem CID 38858953) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide
PubChem CID38858953
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H25N3O4/c22-21(26)18-8-4-5-9-19(18)28-16-20(25)24-12-10-23(11-13-24)14-15-27-17-6-2-1-3-7-17/h1-9H,10-16H2,(H2,22,26)
InChIKeyRKXUJBHMEFBDPF-UHFFFAOYSA-N
XLogP1.39
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide
CID 38859014
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
5-bromo-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzaldehyde
CID 38900645
2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanethioamide
CID 63336504
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide?
The IUPAC name of 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide (CID 38858953) is 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide.
What is the SMILES notation for 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide?
The canonical SMILES for 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide?
The InChIKey is RKXUJBHMEFBDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c22-21(26)18-8-4-5-9-19(18)28-16-20(25)24-12-10-23(11-13-24)14-15-27-17-6-2-1-3-7-17/h1-9H,10-16H2,(H2,22,26).
What are the key properties of 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide?
2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide has a molecular weight of 383.45 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide is sourced from PubChem (CID 38858953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).