ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate

C25H31N3O4 — CID 2920161

IUPACethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H31N3O4/c1-5-32-24(31)28-16-14-27(15-17-28)23(30)20-8-6-7-9-21(20)26-22(29)18-10-12-19(13-11-18)25(2,3)4/h6-13H,5,14-17H2,1-4H3,(H,26,29)
InChIKeyMEQHUDRSLLZLQD-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.15
Rot. Bonds4

About ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate

ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate (PubChem CID 2920161) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
PubChem CID2920161
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Nameethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H31N3O4/c1-5-32-24(31)28-16-14-27(15-17-28)23(30)20-8-6-7-9-21(20)26-22(29)18-10-12-19(13-11-18)25(2,3)4/h6-13H,5,14-17H2,1-4H3,(H,26,29)
InChIKeyMEQHUDRSLLZLQD-UHFFFAOYSA-N
XLogP4.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate (CID 2920161) is ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate?
The InChIKey is MEQHUDRSLLZLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-5-32-24(31)28-16-14-27(15-17-28)23(30)20-8-6-7-9-21(20)26-22(29)18-10-12-19(13-11-18)25(2,3)4/h6-13H,5,14-17H2,1-4H3,(H,26,29).
What are the key properties of ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate?
ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate has a molecular weight of 437.54 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 2920161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).