1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone

C14H20BrNO2S — CID 54990380

IUPAC1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone
SMILESCCCOC1CCCN(CC(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C14H20BrNO2S/c1-2-8-18-11-4-3-7-16(9-11)10-12(17)13-5-6-14(15)19-13/h5-6,11H,2-4,7-10H2,1H3
InChIKeyODSFTMUSNZIOEW-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.58
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone

1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone (PubChem CID 54990380) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone
PubChem CID54990380
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone
SMILESCCCOC1CCCN(CC(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C14H20BrNO2S/c1-2-8-18-11-4-3-7-16(9-11)10-12(17)13-5-6-14(15)19-13/h5-6,11H,2-4,7-10H2,1H3
InChIKeyODSFTMUSNZIOEW-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960675
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(5-bromothiophen-2-yl)ethanone
CID 79942862
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836577
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone
CID 43227756
1-(2,5-dibromothiophen-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960626
N-(2-hydroxyethyl)-2-(3-propoxypiperidin-1-yl)acetamide
CID 54990386
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62036555
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
1-(5-bromothiophen-2-yl)-2-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 62774039
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone (CID 54990380) is 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone is CCCOC1CCCN(CC(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone?
The InChIKey is ODSFTMUSNZIOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-2-8-18-11-4-3-7-16(9-11)10-12(17)13-5-6-14(15)19-13/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone?
1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone has a molecular weight of 346.29 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 54990380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).