ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate

C22H23FN2O4 — CID 50803904

IUPACethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3F)C2)cc1
InChIInChI=1S/C22H23FN2O4/c1-2-29-22(28)15-9-11-17(12-10-15)24-20(26)16-6-5-13-25(14-16)21(27)18-7-3-4-8-19(18)23/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,24,26)
InChIKeyLFJZTUOFFRRYJD-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.49
Rot. Bonds5

About ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate

ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate (PubChem CID 50803904) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
PubChem CID50803904
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Nameethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3F)C2)cc1
InChIInChI=1S/C22H23FN2O4/c1-2-29-22(28)15-9-11-17(12-10-15)24-20(26)16-6-5-13-25(14-16)21(27)18-7-3-4-8-19(18)23/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,24,26)
InChIKeyLFJZTUOFFRRYJD-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50804505
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 50803874
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 75551257
(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 93069842
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
methyl (3S)-3-[[4-(ethoxycarbonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95593872
ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 60596637
ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46604295
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate (CID 50803904) is ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3F)C2)cc1.
What is the InChIKey of ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate?
The InChIKey is LFJZTUOFFRRYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-2-29-22(28)15-9-11-17(12-10-15)24-20(26)16-6-5-13-25(14-16)21(27)18-7-3-4-8-19(18)23/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,24,26).
What are the key properties of ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate?
ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate has a molecular weight of 398.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 50803904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).