ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate

C23H27N3O6 — CID 35508706

IUPACethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)CC1
InChIInChI=1S/C23H27N3O6/c1-3-31-23(29)26-13-11-25(12-14-26)22(28)17-7-9-19(10-8-17)32-16-21(27)24-18-5-4-6-20(15-18)30-2/h4-10,15H,3,11-14,16H2,1-2H3,(H,24,27)
InChIKeyUZGSCGGVKFGPEP-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.63
Rot. Bonds7

About ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate

ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate (PubChem CID 35508706) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate
PubChem CID35508706
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Nameethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)CC1
InChIInChI=1S/C23H27N3O6/c1-3-31-23(29)26-13-11-25(12-14-26)22(28)17-7-9-19(10-8-17)32-16-21(27)24-18-5-4-6-20(15-18)30-2/h4-10,15H,3,11-14,16H2,1-2H3,(H,24,27)
InChIKeyUZGSCGGVKFGPEP-UHFFFAOYSA-N
XLogP2.63
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55987318
N-(3-methoxyphenyl)-2-[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenoxy]acetamide
CID 24653239
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide
CID 134057921
ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003643
N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832632
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate (CID 35508706) is ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate?
The InChIKey is UZGSCGGVKFGPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-3-31-23(29)26-13-11-25(12-14-26)22(28)17-7-9-19(10-8-17)32-16-21(27)24-18-5-4-6-20(15-18)30-2/h4-10,15H,3,11-14,16H2,1-2H3,(H,24,27).
What are the key properties of ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate?
ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate has a molecular weight of 441.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 35508706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).