ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate

C23H28N2O3 — CID 46774513

IUPACethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O3/c1-3-28-23(27)20-10-9-17(2)21(15-20)24-22(26)19-11-13-25(14-12-19)16-18-7-5-4-6-8-18/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,24,26)
InChIKeyXKIUDYJZBJQIMJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.02
Rot. Bonds6

About ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate

ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate (PubChem CID 46774513) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Nameethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate
PubChem CID46774513
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O3/c1-3-28-23(27)20-10-9-17(2)21(15-20)24-22(26)19-11-13-25(14-12-19)16-18-7-5-4-6-8-18/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,24,26)
InChIKeyXKIUDYJZBJQIMJ-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate 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

ethyl 4-[[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]amino]-3-methylbenzoate
CID 46774567
ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45011956
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
ethyl 4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-3-methylbenzoate
CID 99953680
ethyl 4-[[1-[(3-bromophenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 43919856
ethyl 3-[[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]-4-methylbenzoate
CID 38150753
1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45013570
1-[(4-bromophenyl)methyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 43919152
methyl 3-[[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]-4-methylbenzoate
CID 38153691
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
ethyl 2-[[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 45009339

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate?
The IUPAC name of ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate (CID 46774513) is ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate.
What is the SMILES notation for ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate?
The canonical SMILES for ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate is CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate?
The InChIKey is XKIUDYJZBJQIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-28-23(27)20-10-9-17(2)21(15-20)24-22(26)19-11-13-25(14-12-19)16-18-7-5-4-6-8-18/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,24,26).
What are the key properties of ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate?
ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate has a molecular weight of 380.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate is sourced from PubChem (CID 46774513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).