ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate

C17H24ClN3O3 — CID 55457285

IUPACethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC(C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O3/c1-3-24-17(23)21-9-7-15(8-10-21)20-16(22)19-12(2)13-5-4-6-14(18)11-13/h4-6,11-12,15H,3,7-10H2,1-2H3,(H2,19,20,22)
InChIKeyJALDXTPTUNATSI-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.32
Rot. Bonds4

About ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate

ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate (PubChem CID 55457285) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate
PubChem CID55457285
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Nameethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC(C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O3/c1-3-24-17(23)21-9-7-15(8-10-21)20-16(22)19-12(2)13-5-4-6-14(18)11-13/h4-6,11-12,15H,3,7-10H2,1-2H3,(H2,19,20,22)
InChIKeyJALDXTPTUNATSI-UHFFFAOYSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[(1S)-1-(3,4-difluorophenyl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 51728637
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531749
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
CID 60614184
ethyl 4-[[N-[(3-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329740
ethyl 4-[[N'-[2-(3-chlorophenoxy)propyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111516211
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
2-(4-aminopiperidin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371581
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate (CID 55457285) is ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NC(C)c2cccc(Cl)c2)CC1.
What is the InChIKey of ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate?
The InChIKey is JALDXTPTUNATSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-3-24-17(23)21-9-7-15(8-10-21)20-16(22)19-12(2)13-5-4-6-14(18)11-13/h4-6,11-12,15H,3,7-10H2,1-2H3,(H2,19,20,22).
What are the key properties of ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate?
ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate has a molecular weight of 353.85 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 55457285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).