ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate

C25H32N2O3 — CID 140510148

IUPACethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate
SMILESCCOC(=O)C1CC(NC(=O)C(C)c2ccccc2C)CCN1Cc1ccccc1
InChIInChI=1S/C25H32N2O3/c1-4-30-25(29)23-16-21(14-15-27(23)17-20-11-6-5-7-12-20)26-24(28)19(3)22-13-9-8-10-18(22)2/h5-13,19,21,23H,4,14-17H2,1-3H3,(H,26,28)
InChIKeyNLHVMEUOKPXORZ-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.81
Rot. Bonds7

About ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate

ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate (PubChem CID 140510148) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate
PubChem CID140510148
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Nameethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate
SMILESCCOC(=O)C1CC(NC(=O)C(C)c2ccccc2C)CCN1Cc1ccccc1
InChIInChI=1S/C25H32N2O3/c1-4-30-25(29)23-16-21(14-15-27(23)17-20-11-6-5-7-12-20)26-24(28)19(3)22-13-9-8-10-18(22)2/h5-13,19,21,23H,4,14-17H2,1-3H3,(H,26,28)
InChIKeyNLHVMEUOKPXORZ-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate 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

methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487540
ethyl (2S,4S)-1-benzyl-4-butylpyrrolidine-2-carboxylate
CID 23248596
5-O-ethyl 7-O-methyl 1-benzyl-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylate
CID 134920260
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
CID 60579128
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate (CID 140510148) is ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate is CCOC(=O)C1CC(NC(=O)C(C)c2ccccc2C)CCN1Cc1ccccc1.
What is the InChIKey of ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate?
The InChIKey is NLHVMEUOKPXORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-4-30-25(29)23-16-21(14-15-27(23)17-20-11-6-5-7-12-20)26-24(28)19(3)22-13-9-8-10-18(22)2/h5-13,19,21,23H,4,14-17H2,1-3H3,(H,26,28).
What are the key properties of ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate?
ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate has a molecular weight of 408.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-[2-(2-methylphenyl)propanoylamino]piperidine-2-carboxylate is sourced from PubChem (CID 140510148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).