2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one

C19H27NO2 — CID 19426102

IUPAC2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one
SMILESC=CCC(CC)(C(=O)c1ccc(OC)cc1)N1CCCCC1
InChIInChI=1S/C19H27NO2/c1-4-13-19(5-2,20-14-7-6-8-15-20)18(21)16-9-11-17(22-3)12-10-16/h4,9-12H,1,5-8,13-15H2,2-3H3
InChIKeyHKXJZEDFBJOZNI-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.09
Rot. Bonds7

About 2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one

2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one (PubChem CID 19426102) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one
PubChem CID19426102
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one
SMILESC=CCC(CC)(C(=O)c1ccc(OC)cc1)N1CCCCC1
InChIInChI=1S/C19H27NO2/c1-4-13-19(5-2,20-14-7-6-8-15-20)18(21)16-9-11-17(22-3)12-10-16/h4,9-12H,1,5-8,13-15H2,2-3H3
InChIKeyHKXJZEDFBJOZNI-UHFFFAOYSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-morpholin-4-ylpent-4-en-1-one
CID 19049428
2-ethyl-1-[4-[4-(methoxymethoxy)phenyl]sulfanylphenyl]-2-morpholin-4-ylbutan-1-one;methyl [4-[4-(2-morpholin-4-yl-2-prop-2-enylpent-4-enoyl)phenyl]sulfanylphenyl] carbonate
CID 145009694
1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79060041
2-(azocan-1-yl)-2-ethylbutanoic acid
CID 82238451
2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one
CID 20547304
1-(4-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069392
ethyl 3-(4-methoxyphenyl)-3-oxo-2-pyrrolidin-1-ylpropanoate
CID 57161588
3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid
CID 64529115
2,2,2-triiodo-1-(4-methoxyphenyl)ethanone
CID 86080929
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
2-hydroxy-2-(4-methoxybenzoyl)butanenitrile
CID 88797611
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one?
The IUPAC name of 2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one (CID 19426102) is 2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one.
What is the SMILES notation for 2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one?
The canonical SMILES for 2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one is C=CCC(CC)(C(=O)c1ccc(OC)cc1)N1CCCCC1.
What is the InChIKey of 2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one?
The InChIKey is HKXJZEDFBJOZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-13-19(5-2,20-14-7-6-8-15-20)18(21)16-9-11-17(22-3)12-10-16/h4,9-12H,1,5-8,13-15H2,2-3H3.
What are the key properties of 2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one?
2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one has a molecular weight of 301.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 19426102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).