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

C17H25NO2S — CID 110628471

IUPAC2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCCO1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C17H25NO2S/c19-17(13-15-4-1-2-10-20-15)18-8-6-14(7-9-18)12-16-5-3-11-21-16/h3,5,11,14-15H,1-2,4,6-10,12-13H2
InChIKeyFOCNHGBQNRAWQP-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.49
Rot. Bonds4

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

2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 110628471) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID110628471
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCCO1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C17H25NO2S/c19-17(13-15-4-1-2-10-20-15)18-8-6-14(7-9-18)12-16-5-3-11-21-16/h3,5,11,14-15H,1-2,4,6-10,12-13H2
InChIKeyFOCNHGBQNRAWQP-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289457
(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289447
N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperidin-1-yl]propyl]acetamide
CID 110354371
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628442
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110414536
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 107109025
2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289470
(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289472
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608652

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone (CID 110628471) is 2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone is O=C(CC1CCCCO1)N1CCC(Cc2cccs2)CC1.
What is the InChIKey of 2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is FOCNHGBQNRAWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c19-17(13-15-4-1-2-10-20-15)18-8-6-14(7-9-18)12-16-5-3-11-21-16/h3,5,11,14-15H,1-2,4,6-10,12-13H2.
What are the key properties of 2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 307.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110628471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).