ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate

C21H24N2O3 — CID 13450696

IUPACethyl 4-(2-benzoylanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccccc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c1-2-26-21(25)23-14-12-17(13-15-23)22-19-11-7-6-10-18(19)20(24)16-8-4-3-5-9-16/h3-11,17,22H,2,12-15H2,1H3
InChIKeyXRIYZDCJVOZMPE-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.95
Rot. Bonds5

About ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate

ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate (PubChem CID 13450696) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-benzoylanilino)piperidine-1-carboxylate
PubChem CID13450696
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nameethyl 4-(2-benzoylanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccccc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c1-2-26-21(25)23-14-12-17(13-15-23)22-19-11-7-6-10-18(19)20(24)16-8-4-3-5-9-16/h3-11,17,22H,2,12-15H2,1H3
InChIKeyXRIYZDCJVOZMPE-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

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CID 43758190
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate
CID 36884910
ethyl 2-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate
CID 43774654
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
[(2S)-2-(dibenzylamino)propyl] 4-(2-aminoanilino)piperidine-1-carboxylate
CID 25192544
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39610496
ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160203
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
CID 43780824
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329550

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate (CID 13450696) is ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccccc2C(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate?
The InChIKey is XRIYZDCJVOZMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-26-21(25)23-14-12-17(13-15-23)22-19-11-7-6-10-18(19)20(24)16-8-4-3-5-9-16/h3-11,17,22H,2,12-15H2,1H3.
What are the key properties of ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate?
ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate is sourced from PubChem (CID 13450696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).