ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate

C17H25N3O3 — CID 3865225

IUPACethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C17H25N3O3/c1-4-23-17(22)20-9-7-14(8-10-20)18-16(21)19-15-6-5-12(2)11-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3,(H2,18,19,21)
InChIKeyPKSNDPDEPATJHY-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.05
Rot. Bonds3

About ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 3865225) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID3865225
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nameethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C17H25N3O3/c1-4-23-17(22)20-9-7-14(8-10-20)18-16(21)19-15-6-5-12(2)11-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3,(H2,18,19,21)
InChIKeyPKSNDPDEPATJHY-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431101
ethyl 4-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108524123
ethyl 4-[[2-(2-bromo-4-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531772
ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932030
ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028829
ethyl 4-[[3-oxo-3-(2,4,6-trimethylanilino)propanoyl]amino]piperidine-1-carboxylate
CID 108950241
ethyl 4-[2-(2,4-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 2654232
ethyl 4-[3-(2,4-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]piperazine-1-carboxylate
CID 108965347
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003675
ethyl 4-[[N'-[(2,4-dimethylphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111051625

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate (CID 3865225) is ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2ccc(C)cc2C)CC1.
What is the InChIKey of ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is PKSNDPDEPATJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-23-17(22)20-9-7-14(8-10-20)18-16(21)19-15-6-5-12(2)11-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3,(H2,18,19,21).
What are the key properties of ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 3865225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).