ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate

C18H27N3O3 — CID 108891194

IUPACethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NCCc2ccc(C)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-9-16(10-13-21)20-17(22)19-11-8-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H2,19,20,22)
InChIKeyYPPADYOYUJFKPH-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.46
Rot. Bonds5

About ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate

ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate (PubChem CID 108891194) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
PubChem CID108891194
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NCCc2ccc(C)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-9-16(10-13-21)20-17(22)19-11-8-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H2,19,20,22)
InChIKeyYPPADYOYUJFKPH-UHFFFAOYSA-N
XLogP2.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[[N'-[2-(4-methylphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111814089
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110822794
ethyl 4-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328677
ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 38949283
ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
ethyl 4-[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111330086
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108899188
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
CID 60614184

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate (CID 108891194) is ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NCCc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate?
The InChIKey is YPPADYOYUJFKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-9-16(10-13-21)20-17(22)19-11-8-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H2,19,20,22).
What are the key properties of ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate?
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 108891194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).