2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone

C17H24ClNO3 — CID 71918620

IUPAC2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1
InChIInChI=1S/C17H24ClNO3/c1-3-22-12-13-6-8-19(9-7-13)17(20)10-14-4-5-15(21-2)11-16(14)18/h4-5,11,13H,3,6-10,12H2,1-2H3
InChIKeyIIABKMBPMCXLDO-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.17
Rot. Bonds6

About 2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone

2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone (PubChem CID 71918620) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
PubChem CID71918620
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1
InChIInChI=1S/C17H24ClNO3/c1-3-22-12-13-6-8-19(9-7-13)17(20)10-14-4-5-15(21-2)11-16(14)18/h4-5,11,13H,3,6-10,12H2,1-2H3
InChIKeyIIABKMBPMCXLDO-UHFFFAOYSA-N
XLogP3.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686069
1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 110769975
2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023582
1-[4-[2-(2-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110800357
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686078
2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 121201391
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581941
2-(2-chloro-4-methoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
CID 69042089
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98022284

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone (CID 71918620) is 2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone is CCOCC1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is IIABKMBPMCXLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-3-22-12-13-6-8-19(9-7-13)17(20)10-14-4-5-15(21-2)11-16(14)18/h4-5,11,13H,3,6-10,12H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone?
2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 325.84 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71918620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).