1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone

C18H28N2O4 — CID 162633633

IUPAC1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCC(CN(C)C)(OC)CC1
InChIInChI=1S/C18H28N2O4/c1-19(2)14-18(23-4)9-11-20(12-10-18)17(21)13-24-16-8-6-5-7-15(16)22-3/h5-8H,9-14H2,1-4H3
InChIKeyJIBMRVWAOWWJDM-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.64
Rot. Bonds7

About 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone

1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 162633633) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID162633633
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCC(CN(C)C)(OC)CC1
InChIInChI=1S/C18H28N2O4/c1-19(2)14-18(23-4)9-11-20(12-10-18)17(21)13-24-16-8-6-5-7-15(16)22-3/h5-8H,9-14H2,1-4H3
InChIKeyJIBMRVWAOWWJDM-UHFFFAOYSA-N
XLogP1.64
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 97026017
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
2,2,2-trifluoro-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533450
(1S,5R)-3-[2-(2-methoxyphenoxy)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135113397
4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid
CID 141406585
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
2-ethyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555633

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 162633633) is 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)N1CCC(CN(C)C)(OC)CC1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The InChIKey is JIBMRVWAOWWJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-19(2)14-18(23-4)9-11-20(12-10-18)17(21)13-24-16-8-6-5-7-15(16)22-3/h5-8H,9-14H2,1-4H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 336.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 162633633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).