ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate

C22H23BrN2O4 — CID 36884910

IUPACethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C22H23BrN2O4/c1-2-29-22(28)25-13-11-17(12-14-25)24-21(27)19-6-4-3-5-18(19)20(26)15-7-9-16(23)10-8-15/h3-10,17H,2,11-14H2,1H3,(H,24,27)
InChIKeyYNLRIBJJHWGSTC-UHFFFAOYSA-N
MW459.34 g/mol
LogP4.03
Rot. Bonds5

About ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 36884910) has the molecular formula C22H23BrN2O4 and a molecular weight of 459.34 g/mol. Its IUPAC name is ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID36884910
Molecular FormulaC22H23BrN2O4
Molecular Weight459.34 g/mol
Exact Mass458.08
IUPAC Nameethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C22H23BrN2O4/c1-2-29-22(28)25-13-11-17(12-14-25)24-21(27)19-6-4-3-5-18(19)20(26)15-7-9-16(23)10-8-15/h3-10,17H,2,11-14H2,1H3,(H,24,27)
InChIKeyYNLRIBJJHWGSTC-UHFFFAOYSA-N
XLogP4.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 99807958
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55721530
ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate
CID 13450696
ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate
CID 24644251
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
ethyl 4-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]piperidine-1-carboxylate
CID 46491359
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551354
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate (CID 36884910) is ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is YNLRIBJJHWGSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O4/c1-2-29-22(28)25-13-11-17(12-14-25)24-21(27)19-6-4-3-5-18(19)20(26)15-7-9-16(23)10-8-15/h3-10,17H,2,11-14H2,1H3,(H,24,27).
What are the key properties of ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 459.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 36884910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).