6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one

C25H33NO3 — CID 143851696

IUPAC6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one
SMILESCCCCC(O)c1ccc(N2C(=O)CCCC2Cc2cccc(OCC)c2)cc1
InChIInChI=1S/C25H33NO3/c1-3-5-11-24(27)20-13-15-21(16-14-20)26-22(9-7-12-25(26)28)17-19-8-6-10-23(18-19)29-4-2/h6,8,10,13-16,18,22,24,27H,3-5,7,9,11-12,17H2,1-2H3
InChIKeyFKBHZDLBKNJHRT-UHFFFAOYSA-N
MW395.54 g/mol
LogP5.44
Rot. Bonds9

About 6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one

6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one (PubChem CID 143851696) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is 6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one
PubChem CID143851696
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Name6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one
SMILESCCCCC(O)c1ccc(N2C(=O)CCCC2Cc2cccc(OCC)c2)cc1
InChIInChI=1S/C25H33NO3/c1-3-5-11-24(27)20-13-15-21(16-14-20)26-22(9-7-12-25(26)28)17-19-8-6-10-23(18-19)29-4-2/h6,8,10,13-16,18,22,24,27H,3-5,7,9,11-12,17H2,1-2H3
InChIKeyFKBHZDLBKNJHRT-UHFFFAOYSA-N
XLogP5.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid
CID 24811733
(5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 70970630
3-[[1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]benzoic acid
CID 70667399
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
5-[[1-[4-(1-hydroxyhexyl)phenyl]-6-oxopiperidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid
CID 74109136
5-[(R)-[1-[4-(1-hydroxyhexyl)phenyl]-6-oxopiperidin-2-yl]-methoxymethyl]thiophene-2-carboxylic acid
CID 68580277
[3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite
CID 70852472
2-[3-[1-[4-(1-hydroxypropyl)phenyl]-6-oxopiperidin-2-yl]propyl]-1,3-thiazole-5-carboxylic acid
CID 24767937
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749184
propan-2-yl 3-[3-[(2S)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CID 172818786
7-[1-[4-[hydroxy-(1-propylcyclobutyl)methyl]phenyl]-6-oxopiperidin-2-yl]heptanoic acid
CID 24767944

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one?
The IUPAC name of 6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one (CID 143851696) is 6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one.
What is the SMILES notation for 6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one?
The canonical SMILES for 6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one is CCCCC(O)c1ccc(N2C(=O)CCCC2Cc2cccc(OCC)c2)cc1.
What is the InChIKey of 6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one?
The InChIKey is FKBHZDLBKNJHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3/c1-3-5-11-24(27)20-13-15-21(16-14-20)26-22(9-7-12-25(26)28)17-19-8-6-10-23(18-19)29-4-2/h6,8,10,13-16,18,22,24,27H,3-5,7,9,11-12,17H2,1-2H3.
What are the key properties of 6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one?
6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one has a molecular weight of 395.54 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one is sourced from PubChem (CID 143851696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).