methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate

C18H25FN2O3 — CID 47060318

IUPACmethyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H25FN2O3/c1-24-18(23)12-16-4-2-3-11-21(16)13-17(22)20-10-9-14-5-7-15(19)8-6-14/h5-8,16H,2-4,9-13H2,1H3,(H,20,22)
InChIKeyZYFSEPQRSLCCAZ-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.90
Rot. Bonds7

About methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate

methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate (PubChem CID 47060318) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate
PubChem CID47060318
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Namemethyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H25FN2O3/c1-24-18(23)12-16-4-2-3-11-21(16)13-17(22)20-10-9-14-5-7-15(19)8-6-14/h5-8,16H,2-4,9-13H2,1H3,(H,20,22)
InChIKeyZYFSEPQRSLCCAZ-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate (CID 47060318) is methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate?
The InChIKey is ZYFSEPQRSLCCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-24-18(23)12-16-4-2-3-11-21(16)13-17(22)20-10-9-14-5-7-15(19)8-6-14/h5-8,16H,2-4,9-13H2,1H3,(H,20,22).
What are the key properties of methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate has a molecular weight of 336.41 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 47060318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).