2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone

C19H23NO2S — CID 110289470

IUPAC2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC(Cc3cccs3)CC2)cc1
InChIInChI=1S/C19H23NO2S/c1-15-4-6-17(7-5-15)22-14-19(21)20-10-8-16(9-11-20)13-18-3-2-12-23-18/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeySRVZAYMBNIOYJG-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.92
Rot. Bonds5

About 2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone

2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 110289470) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID110289470
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC(Cc3cccs3)CC2)cc1
InChIInChI=1S/C19H23NO2S/c1-15-4-6-17(7-5-15)22-14-19(21)20-10-8-16(9-11-20)13-18-3-2-12-23-18/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeySRVZAYMBNIOYJG-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 110798611
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456
1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 91920130
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone;hydrochloride
CID 119483775
N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperidin-1-yl]propyl]acetamide
CID 110354371
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110818300
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628442
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone (CID 110289470) is 2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CCC(Cc3cccs3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is SRVZAYMBNIOYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-4-6-17(7-5-15)22-14-19(21)20-10-8-16(9-11-20)13-18-3-2-12-23-18/h2-7,12,16H,8-11,13-14H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 329.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110289470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).