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

C17H23ClN2O3 — CID 44589122

IUPAC[2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCC(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O3/c1-19-16(21)12-23-17(22)20-10-8-14(9-11-20)3-2-13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyJFSSVCSHPDLFCM-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.87
Rot. Bonds5

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

[2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate (PubChem CID 44589122) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
PubChem CID44589122
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCC(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O3/c1-19-16(21)12-23-17(22)20-10-8-14(9-11-20)3-2-13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyJFSSVCSHPDLFCM-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate (CID 44589122) is [2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate is CNC(=O)COC(=O)N1CCC(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is JFSSVCSHPDLFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-19-16(21)12-23-17(22)20-10-8-14(9-11-20)3-2-13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,19,21).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
[2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 338.84 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 44589122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).