ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate

C16H19Cl2N3O4 — CID 108531047

IUPACethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H19Cl2N3O4/c1-2-25-16(24)21-5-3-12(4-6-21)19-14(22)15(23)20-13-8-10(17)7-11(18)9-13/h7-9,12H,2-6H2,1H3,(H,19,22)(H,20,23)
InChIKeyBJDPMSRIPGCZBQ-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.67
Rot. Bonds3

About ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate (PubChem CID 108531047) has the molecular formula C16H19Cl2N3O4 and a molecular weight of 388.25 g/mol. Its IUPAC name is ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
PubChem CID108531047
Molecular FormulaC16H19Cl2N3O4
Molecular Weight388.25 g/mol
Exact Mass387.08
IUPAC Nameethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H19Cl2N3O4/c1-2-25-16(24)21-5-3-12(4-6-21)19-14(22)15(23)20-13-8-10(17)7-11(18)9-13/h7-9,12H,2-6H2,1H3,(H,19,22)(H,20,23)
InChIKeyBJDPMSRIPGCZBQ-UHFFFAOYSA-N
XLogP2.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108524123
ethyl 4-[[2-(4-bromo-3-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531774
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[(2,6-dichloro-4-pyridinyl)carbamoylamino]piperidine-1-carboxylate
CID 23876750
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[[2-(2,6-difluoroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108522111
ethyl 4-[[2-(2-bromo-4-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531772
ethyl 4-[[3-(3-chloro-4-fluoroanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950255
ethyl 4-[(4-chloro-3-methoxycarbonylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 47040600
ethyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531749
ethyl 4-[[N-[2-(3,5-dichlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328991
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate (CID 108531047) is ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate?
The InChIKey is BJDPMSRIPGCZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O4/c1-2-25-16(24)21-5-3-12(4-6-21)19-14(22)15(23)20-13-8-10(17)7-11(18)9-13/h7-9,12H,2-6H2,1H3,(H,19,22)(H,20,23).
What are the key properties of ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate has a molecular weight of 388.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108531047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).