ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate

C30H34N2O3 — CID 70417081

IUPACethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate
SMILESCCOC(=O)c1ccc(C(C(N)=O)C(Cc2ccccc2)c2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C30H34N2O3/c1-2-35-30(34)24-17-15-23(16-18-24)28(29(31)33)26(21-22-11-5-3-6-12-22)25-13-7-8-14-27(25)32-19-9-4-10-20-32/h3,5-8,11-18,26,28H,2,4,9-10,19-21H2,1H3,(H2,31,33)
InChIKeyKDUIRNTXJTZSDK-UHFFFAOYSA-N
MW470.61 g/mol
LogP5.45
Rot. Bonds9

About ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate

ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate (PubChem CID 70417081) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate
PubChem CID70417081
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Nameethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate
SMILESCCOC(=O)c1ccc(C(C(N)=O)C(Cc2ccccc2)c2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C30H34N2O3/c1-2-35-30(34)24-17-15-23(16-18-24)28(29(31)33)26(21-22-11-5-3-6-12-22)25-13-7-8-14-27(25)32-19-9-4-10-20-32/h3,5-8,11-18,26,28H,2,4,9-10,19-21H2,1H3,(H2,31,33)
InChIKeyKDUIRNTXJTZSDK-UHFFFAOYSA-N
XLogP5.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester
CID 605044
Methyl 4-{3-[4-(ethoxycarbonyl)-4-phenylpiperidyl]propanoylamino}benzoate
CID 4273842
methyl 4-[[4-(4-oxo-1H-quinolin-2-yl)phenyl]methyl]benzoate
CID 67607446
methyl 4-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoate
CID 68184870
methyl-4'-[(N-phenylpentanamido)methyl]biphenyl-2-carboxylate
CID 118432349
ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoate
CID 1106361
Ethyl 4-{[4-(4-morpholinylmethyl)benzoyl]amino}benzoate
CID 1257531
4-Benzoylbenzyl 2-(acetylamino)benzoate
CID 1262376
methyl 3-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)-4-methylbenzoate
CID 1321107
[2-Oxo-2-(2-phenylanilino)ethyl] 4-(diethylamino)benzoate
CID 2095969
[2-Oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate
CID 2413255
Ethyl 4-{[(4-benzyl-1-piperazinyl)acetyl]amino}benzoate
CID 2976114

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate?
The IUPAC name of ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate (CID 70417081) is ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate?
The canonical SMILES for ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate is CCOC(=O)c1ccc(C(C(N)=O)C(Cc2ccccc2)c2ccccc2N2CCCCC2)cc1.
What is the InChIKey of ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate?
The InChIKey is KDUIRNTXJTZSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-2-35-30(34)24-17-15-23(16-18-24)28(29(31)33)26(21-22-11-5-3-6-12-22)25-13-7-8-14-27(25)32-19-9-4-10-20-32/h3,5-8,11-18,26,28H,2,4,9-10,19-21H2,1H3,(H2,31,33).
What are the key properties of ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate?
ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate has a molecular weight of 470.61 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoate is sourced from PubChem (CID 70417081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).