2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

C17H23ClN2O3 — CID 57311494

IUPAC2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3/c1-14(15-5-7-16(18)8-6-15)19-23-13-17(21)22-12-11-20-9-3-2-4-10-20/h5-8,19H,1-4,9-13H2
InChIKeyQKKLLMUVFCOUOG-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.86
Rot. Bonds8

About 2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (PubChem CID 57311494) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
PubChem CID57311494
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3/c1-14(15-5-7-16(18)8-6-15)19-23-13-17(21)22-12-11-20-9-3-2-4-10-20/h5-8,19H,1-4,9-13H2
InChIKeyQKKLLMUVFCOUOG-UHFFFAOYSA-N
XLogP2.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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-(2-(4-((4-Chlorophenyl)phenylmethyl)-1-oxido-1-piperazinyl)ethoxy)acetic acid
CID 45038602
2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-ium-1-yl]ethoxy]acetate
CID 28145931
Levocetirizine N-oxide
CID 29975673
2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-ium-1-yl]ethoxy]acetate
CID 28145930
(+/-)-[2-[4-[(4-Chlorophenylmethyl)]-1-piperazinyl]ethoxy] acetic acid
CID 129821409
2-(Dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 56978020
2-(Methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57032955
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethoxy)ethenamine
CID 57073351
2-Acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57084115
1-(Dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57178648
4-[[3-(4-Chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 57201017
(1,4-Dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57208828

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The IUPAC name of 2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (CID 57311494) is 2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The canonical SMILES for 2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)OCCN1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The InChIKey is QKKLLMUVFCOUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-14(15-5-7-16(18)8-6-15)19-23-13-17(21)22-12-11-20-9-3-2-4-10-20/h5-8,19H,1-4,9-13H2.
What are the key properties of 2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate has a molecular weight of 338.84 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 57311494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).