ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate

C18H28N4O3 — CID 38949283

IUPACethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C18H28N4O3/c1-4-25-18(24)22-11-9-15(10-12-22)20-17(23)19-13-14-5-7-16(8-6-14)21(2)3/h5-8,15H,4,9-13H2,1-3H3,(H2,19,20,23)
InChIKeyWMIQPFWJCVKGNO-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.17
Rot. Bonds5

About ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate

ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate (PubChem CID 38949283) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
PubChem CID38949283
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nameethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C18H28N4O3/c1-4-25-18(24)22-11-9-15(10-12-22)20-17(23)19-13-14-5-7-16(8-6-14)21(2)3/h5-8,15H,4,9-13H2,1-3H3,(H2,19,20,23)
InChIKeyWMIQPFWJCVKGNO-UHFFFAOYSA-N
XLogP2.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[N'-[[4-(dimethylamino)phenyl]methyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111329465
1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
CID 38951485
ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 110706271
ethyl 4-[[N'-[3-[4-(dimethylamino)phenyl]propyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328392
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028878
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108899188
ethyl 4-[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111330086
ethyl 4-[[1-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108975803
ethyl 4-[[N-[[4-(methoxymethyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327149
ethyl 4-[[N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329158

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate (CID 38949283) is ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate?
The InChIKey is WMIQPFWJCVKGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-25-18(24)22-11-9-15(10-12-22)20-17(23)19-13-14-5-7-16(8-6-14)21(2)3/h5-8,15H,4,9-13H2,1-3H3,(H2,19,20,23).
What are the key properties of ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate?
ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 38949283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).