(1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

C17H23ClN2O3 — CID 57208828

IUPAC(1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OC1(C)CCN(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3/c1-13(14-4-6-15(18)7-5-14)19-22-12-16(21)23-17(2)8-10-20(3)11-9-17/h4-7,19H,1,8-12H2,2-3H3
InChIKeyXBEQLSWNOBAHJB-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.86
Rot. Bonds6

About (1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

(1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (PubChem CID 57208828) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is (1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Name(1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
PubChem CID57208828
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name(1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OC1(C)CCN(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3/c1-13(14-4-6-15(18)7-5-14)19-22-12-16(21)23-17(2)8-10-20(3)11-9-17/h4-7,19H,1,8-12H2,2-3H3
InChIKeyXBEQLSWNOBAHJB-UHFFFAOYSA-N
XLogP2.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 56978020
2-(Methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57032955
Methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57056971
1-(Dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57178648
2-Pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57264503
2-Piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57311494
Tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91139083
Tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
CID 91371639
2-[1-[1-(4-Chlorophenyl)propyl]piperidin-4-yl]oxyacetic acid
CID 65065661

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The IUPAC name of (1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (CID 57208828) is (1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.
What is the SMILES notation for (1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The canonical SMILES for (1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)OC1(C)CCN(C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of (1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The InChIKey is XBEQLSWNOBAHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-13(14-4-6-15(18)7-5-14)19-22-12-16(21)23-17(2)8-10-20(3)11-9-17/h4-7,19H,1,8-12H2,2-3H3.
What are the key properties of (1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
(1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate has a molecular weight of 338.84 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 57208828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).