2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C16H21NO3S — CID 154748804

IUPAC2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESO=C(COCC1CCOC1)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C16H21NO3S/c18-16(12-20-11-13-5-8-19-10-13)17-6-3-14(4-7-17)15-2-1-9-21-15/h1-3,9,13H,4-8,10-12H2
InChIKeyULVZNFLPFZNUTA-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.42
Rot. Bonds5

About 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 154748804) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID154748804
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESO=C(COCC1CCOC1)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C16H21NO3S/c18-16(12-20-11-13-5-8-19-10-13)17-6-3-14(4-7-17)15-2-1-9-21-15/h1-3,9,13H,4-8,10-12H2
InChIKeyULVZNFLPFZNUTA-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone with MolForge

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Related Compounds

oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126776319
1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one
CID 54977254
2-[[(3R)-oxolan-3-yl]methoxy]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 95349103
1-ethyl-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-2-one
CID 126775978
1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 71930797
3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid
CID 63336058
1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54977204
(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone
CID 126773404
1-(3,4-difluorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54977402
4-(5,6-dimethyl-1H-indol-3-yl)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 13327020
1-(3-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54976813
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone
CID 120739766

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 154748804) is 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is O=C(COCC1CCOC1)N1CC=C(c2cccs2)CC1.
What is the InChIKey of 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is ULVZNFLPFZNUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c18-16(12-20-11-13-5-8-19-10-13)17-6-3-14(4-7-17)15-2-1-9-21-15/h1-3,9,13H,4-8,10-12H2.
What are the key properties of 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 307.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 154748804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).