[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate

C17H23NO4 — CID 46086832

IUPAC[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
SMILESCOc1ccc(CC2CCN(C(=O)COC(C)=O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-13(19)22-12-17(20)18-9-7-15(8-10-18)11-14-3-5-16(21-2)6-4-14/h3-6,15H,7-12H2,1-2H3
InChIKeyOQGXUFBBQQCZKX-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.04
Rot. Bonds5

About [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate

[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate (PubChem CID 46086832) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
PubChem CID46086832
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
SMILESCOc1ccc(CC2CCN(C(=O)COC(C)=O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-13(19)22-12-17(20)18-9-7-15(8-10-18)11-14-3-5-16(21-2)6-4-14/h3-6,15H,7-12H2,1-2H3
InChIKeyOQGXUFBBQQCZKX-UHFFFAOYSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate with MolForge

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pent-4-en-1-one
CID 46086884
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119765850
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119765846
3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 119313281
(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 110912966
2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119765862
(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119945201
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 51103888

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate (CID 46086832) is [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate is COc1ccc(CC2CCN(C(=O)COC(C)=O)CC2)cc1.
What is the InChIKey of [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate?
The InChIKey is OQGXUFBBQQCZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13(19)22-12-17(20)18-9-7-15(8-10-18)11-14-3-5-16(21-2)6-4-14/h3-6,15H,7-12H2,1-2H3.
What are the key properties of [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate?
[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate has a molecular weight of 305.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 46086832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).