ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate

C21H25N3O4 — CID 8932102

IUPACethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C21H25N3O4/c1-2-27-21(26)24-14-12-23(13-15-24)16-20(25)22-18-10-6-7-11-19(18)28-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25)
InChIKeyINPNWFTXNYVIKU-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.19
Rot. Bonds6

About ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate

ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate (PubChem CID 8932102) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
PubChem CID8932102
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nameethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C21H25N3O4/c1-2-27-21(26)24-14-12-23(13-15-24)16-20(25)22-18-10-6-7-11-19(18)28-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25)
InChIKeyINPNWFTXNYVIKU-UHFFFAOYSA-N
XLogP3.19
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 78827991
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 30704409
N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902986
N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 9451718
2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 25492304
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
2-(2-methylmorpholin-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 46677615
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 27173357
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-phenoxyphenyl)acetamide
CID 27197068
ethyl 4-[3-(2-ethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950350
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate (CID 8932102) is ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate?
The InChIKey is INPNWFTXNYVIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-27-21(26)24-14-12-23(13-15-24)16-20(25)22-18-10-6-7-11-19(18)28-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25).
What are the key properties of ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate?
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 8932102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).