ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate

C23H28N2O3 — CID 45011956

IUPACethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C23H28N2O3/c1-3-28-23(27)20-6-4-5-7-21(20)24-22(26)19-12-14-25(15-13-19)16-18-10-8-17(2)9-11-18/h4-11,19H,3,12-16H2,1-2H3,(H,24,26)
InChIKeyHCCSZTAMWQZOQS-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.02
Rot. Bonds6

About ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate

ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate (PubChem CID 45011956) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
PubChem CID45011956
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C23H28N2O3/c1-3-28-23(27)20-6-4-5-7-21(20)24-22(26)19-12-14-25(15-13-19)16-18-10-8-17(2)9-11-18/h4-11,19H,3,12-16H2,1-2H3,(H,24,26)
InChIKeyHCCSZTAMWQZOQS-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

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Related Compounds

methyl 2-[[1-[(4-bromophenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 43919896
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate
CID 46774513
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794
ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008687
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
N-[2-(diethylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007629
ethyl 2-[[(3R)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490772

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate (CID 45011956) is ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
The InChIKey is HCCSZTAMWQZOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-28-23(27)20-6-4-5-7-21(20)24-22(26)19-12-14-25(15-13-19)16-18-10-8-17(2)9-11-18/h4-11,19H,3,12-16H2,1-2H3,(H,24,26).
What are the key properties of ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate 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 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 45011956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).