N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide

C19H29FN2O2 — CID 45193292

IUPACN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)COC
InChIInChI=1S/C19H29FN2O2/c1-3-22(19(23)15-24-2)14-17-7-5-10-21(13-17)11-9-16-6-4-8-18(20)12-16/h4,6,8,12,17H,3,5,7,9-11,13-15H2,1-2H3
InChIKeyPCLOQGNIHADJQP-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.58
Rot. Bonds8

About N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide

N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide (PubChem CID 45193292) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide
PubChem CID45193292
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)COC
InChIInChI=1S/C19H29FN2O2/c1-3-22(19(23)15-24-2)14-17-7-5-10-21(13-17)11-9-16-6-4-8-18(20)12-16/h4,6,8,12,17H,3,5,7,9-11,13-15H2,1-2H3
InChIKeyPCLOQGNIHADJQP-UHFFFAOYSA-N
XLogP2.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide (CID 45193292) is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide is CCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)COC.
What is the InChIKey of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide?
The InChIKey is PCLOQGNIHADJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-3-22(19(23)15-24-2)14-17-7-5-10-21(13-17)11-9-16-6-4-8-18(20)12-16/h4,6,8,12,17H,3,5,7,9-11,13-15H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide?
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide has a molecular weight of 336.45 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 45193292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).