2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone

C19H21NO4S — CID 110394378

IUPAC2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCC(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H21NO4S/c1-23-15-5-2-3-6-16(15)24-13-18(21)20-10-8-14(9-11-20)19(22)17-7-4-12-25-17/h2-7,12,14H,8-11,13H2,1H3
InChIKeyWBDKRMCOOARAKQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.26
Rot. Bonds6

About 2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone

2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110394378) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
PubChem CID110394378
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCC(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H21NO4S/c1-23-15-5-2-3-6-16(15)24-13-18(21)20-10-8-14(9-11-20)19(22)17-7-4-12-25-17/h2-7,12,14H,8-11,13H2,1H3
InChIKeyWBDKRMCOOARAKQ-UHFFFAOYSA-N
XLogP3.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394361
[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394347
1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110394274
N-cyclopropyl-1-[2-(2-methoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 113002547
2-(2-methoxyphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289796
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555942
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108546420
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
2-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557222
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone (CID 110394378) is 2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone is COc1ccccc1OCC(=O)N1CCC(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is WBDKRMCOOARAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-23-15-5-2-3-6-16(15)24-13-18(21)20-10-8-14(9-11-20)19(22)17-7-4-12-25-17/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone?
2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 359.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110394378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).