N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide

C18H27FN2O3 — CID 155990783

IUPACN,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCC(O)(COc2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN2O3/c1-3-21(4-2)17(22)12-20-11-5-10-18(23,13-20)14-24-16-8-6-15(19)7-9-16/h6-9,23H,3-5,10-14H2,1-2H3
InChIKeyZCOKVAQJUQNHIX-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.90
Rot. Bonds7

About N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide

N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide (PubChem CID 155990783) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
PubChem CID155990783
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCC(O)(COc2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN2O3/c1-3-21(4-2)17(22)12-20-11-5-10-18(23,13-20)14-24-16-8-6-15(19)7-9-16/h6-9,23H,3-5,10-14H2,1-2H3
InChIKeyZCOKVAQJUQNHIX-UHFFFAOYSA-N
XLogP1.90
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991884
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991889
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 132649278
2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 125006358
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 155991968
3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol
CID 155990623
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 155990946
3-[(4-fluorophenoxy)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-ol
CID 132648969
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
CID 155990558
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-N-pyridin-2-ylacetamide
CID 132770541
(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 155990942
2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 155991207

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide (CID 155990783) is N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCCC(O)(COc2ccc(F)cc2)C1.
What is the InChIKey of N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
The InChIKey is ZCOKVAQJUQNHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-3-21(4-2)17(22)12-20-11-5-10-18(23,13-20)14-24-16-8-6-15(19)7-9-16/h6-9,23H,3-5,10-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide has a molecular weight of 338.42 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 N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide is sourced from PubChem (CID 155990783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).