ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate

C18H25ClN2O3 — CID 46800821

IUPACethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NC(C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H25ClN2O3/c1-3-24-18(23)14-8-10-21(11-9-14)12-17(22)20-13(2)15-6-4-5-7-16(15)19/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,22)
InChIKeyCOVRGIUFMIJSFN-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.79
Rot. Bonds6

About ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 46800821) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID46800821
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Nameethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NC(C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H25ClN2O3/c1-3-24-18(23)14-8-10-21(11-9-14)12-17(22)20-13(2)15-6-4-5-7-16(15)19/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,22)
InChIKeyCOVRGIUFMIJSFN-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate (CID 46800821) is ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)NC(C)c2ccccc2Cl)CC1.
What is the InChIKey of ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is COVRGIUFMIJSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-3-24-18(23)14-8-10-21(11-9-14)12-17(22)20-13(2)15-6-4-5-7-16(15)19/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,22).
What are the key properties of ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 352.86 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 46800821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).