ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate

C21H22ClN3O4 — CID 17311490

IUPACethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H22ClN3O4/c1-2-29-21(28)25-12-10-24(11-13-25)20(27)17-8-3-4-9-18(17)23-19(26)15-6-5-7-16(22)14-15/h3-9,14H,2,10-13H2,1H3,(H,23,26)
InChIKeyQYKCZMQPQXUNGT-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.51
Rot. Bonds4

About ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate

ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate (PubChem CID 17311490) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate
PubChem CID17311490
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Nameethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H22ClN3O4/c1-2-29-21(28)25-12-10-24(11-13-25)20(27)17-8-3-4-9-18(17)23-19(26)15-6-5-7-16(22)14-15/h3-9,14H,2,10-13H2,1H3,(H,23,26)
InChIKeyQYKCZMQPQXUNGT-UHFFFAOYSA-N
XLogP3.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-[(3-methylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 2984971
ethyl 4-[2-[(4-chloro-2-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311526
ethyl 4-[2-[(3-methyl-4-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311598
ethyl 4-(3-chlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798803
ethyl 4-[2-[(2,2,2-trichloroacetyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311910
ethyl 4-[6-[(3-chlorobenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043596
ethyl 4-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]piperazine-1-carboxylate
CID 17119641
ethyl 4-[2-[(2-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311376
ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109055762
ethyl 4-[2-[(2-methyl-3-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311396
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
ethyl 4-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312009

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate (CID 17311490) is ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate?
The InChIKey is QYKCZMQPQXUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-2-29-21(28)25-12-10-24(11-13-25)20(27)17-8-3-4-9-18(17)23-19(26)15-6-5-7-16(22)14-15/h3-9,14H,2,10-13H2,1H3,(H,23,26).
What are the key properties of ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate?
ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate has a molecular weight of 415.88 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 17311490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).