N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide

C25H33FN2O2 — CID 135323023

IUPACN-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCCOCC1(CCc2ccc(F)cc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C25H33FN2O2/c1-3-30-19-25(13-12-21-4-8-23(26)9-5-21)14-16-28(17-15-25)18-22-6-10-24(11-7-22)27-20(2)29/h4-11H,3,12-19H2,1-2H3,(H,27,29)
InChIKeyHSWZTBFRYCJZFA-UHFFFAOYSA-N
MW412.55 g/mol
LogP5.04
Rot. Bonds9

About N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 135323023) has the molecular formula C25H33FN2O2 and a molecular weight of 412.55 g/mol. Its IUPAC name is N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID135323023
Molecular FormulaC25H33FN2O2
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC NameN-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCCOCC1(CCc2ccc(F)cc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C25H33FN2O2/c1-3-30-19-25(13-12-21-4-8-23(26)9-5-21)14-16-28(17-15-25)18-22-6-10-24(11-7-22)27-20(2)29/h4-11H,3,12-19H2,1-2H3,(H,27,29)
InChIKeyHSWZTBFRYCJZFA-UHFFFAOYSA-N
XLogP5.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(3S)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135322598
[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea
CID 135322566
N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135322817
N-[4-[[4-(6-fluoro-2-pyridinyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135323099
4-(ethoxymethyl)-4-(2-phenylethyl)-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine
CID 140909132
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-thiadiazole
CID 135322739
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 60510437
ethyl 4-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate
CID 22195938
N-[4-[[4-[(2S)-oxetan-2-yl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135329983
3-[[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]pyridine-4-carbonitrile
CID 175820952

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide (CID 135323023) is N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide is CCOCC1(CCc2ccc(F)cc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is HSWZTBFRYCJZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O2/c1-3-30-19-25(13-12-21-4-8-23(26)9-5-21)14-16-28(17-15-25)18-22-6-10-24(11-7-22)27-20(2)29/h4-11H,3,12-19H2,1-2H3,(H,27,29).
What are the key properties of N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 412.55 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 135323023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).