1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone

C14H21NO2S — CID 110418083

IUPAC1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCCOCC1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C14H21NO2S/c1-2-17-11-12-5-3-7-15(10-12)14(16)9-13-6-4-8-18-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3
InChIKeyRUHOWEODIPUPAB-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.57
Rot. Bonds5

About 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110418083) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110418083
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCCOCC1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C14H21NO2S/c1-2-17-11-12-5-3-7-15(10-12)14(16)9-13-6-4-8-18-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3
InChIKeyRUHOWEODIPUPAB-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 28706496
1-[3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119465007
2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetic acid
CID 62690570
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110638509
(E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one
CID 110416541
1-[(3R)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 92900742
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110103422
2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 56790234
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 138380011
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119541022
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110418717

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 110418083) is 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is CCOCC1CCCN(C(=O)Cc2cccs2)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is RUHOWEODIPUPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-17-11-12-5-3-7-15(10-12)14(16)9-13-6-4-8-18-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3.
What are the key properties of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 267.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110418083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).