1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one

C13H18BrNO2S — CID 116572333

IUPAC1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
SMILESO=C(CCOC1CCNCC1)Cc1sccc1Br
InChIInChI=1S/C13H18BrNO2S/c14-12-4-8-18-13(12)9-10(16)3-7-17-11-1-5-15-6-2-11/h4,8,11,15H,1-3,5-7,9H2
InChIKeyJOUKUOYCKQKCRL-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.78
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one

1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one (PubChem CID 116572333) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
PubChem CID116572333
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
SMILESO=C(CCOC1CCNCC1)Cc1sccc1Br
InChIInChI=1S/C13H18BrNO2S/c14-12-4-8-18-13(12)9-10(16)3-7-17-11-1-5-15-6-2-11/h4,8,11,15H,1-3,5-7,9H2
InChIKeyJOUKUOYCKQKCRL-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one 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-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572237
1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 116582373
1-(3-bromothiophen-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146926
1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 103052354
4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one
CID 116572330
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572254
1-piperidin-4-yloxyhept-6-yn-3-one
CID 116572339
2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559759
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572314
N-(4-bromophenyl)-3-piperidin-4-yloxypropanamide
CID 63877337
1-phenyl-3-piperidin-4-yloxypropan-1-one
CID 116572261
1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572161

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one?
The IUPAC name of 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one (CID 116572333) is 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one is O=C(CCOC1CCNCC1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one?
The InChIKey is JOUKUOYCKQKCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c14-12-4-8-18-13(12)9-10(16)3-7-17-11-1-5-15-6-2-11/h4,8,11,15H,1-3,5-7,9H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one?
1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one has a molecular weight of 332.26 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one is sourced from PubChem (CID 116572333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).