2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone

C15H21BrN2OS — CID 116559759

IUPAC2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
SMILESO=C(Cc1sccc1Br)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H21BrN2OS/c16-12-5-9-20-15(12)10-14(19)13-2-1-8-18(13)11-3-6-17-7-4-11/h5,9,11,13,17H,1-4,6-8,10H2
InChIKeyXPBOBPRQHOEWQY-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.84
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone

2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone (PubChem CID 116559759) has the molecular formula C15H21BrN2OS and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
PubChem CID116559759
Molecular FormulaC15H21BrN2OS
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
SMILESO=C(Cc1sccc1Br)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H21BrN2OS/c16-12-5-9-20-15(12)10-14(19)13-2-1-8-18(13)11-3-6-17-7-4-11/h5,9,11,13,17H,1-4,6-8,10H2
InChIKeyXPBOBPRQHOEWQY-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-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

2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559754
2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559796
3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
CID 116559712
(3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559716
3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
CID 116559668
1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572333
4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one
CID 114477895
(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559689
(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559771
cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61150843
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 116576070
2-(3-bromothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanone
CID 114969845

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone (CID 116559759) is 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone is O=C(Cc1sccc1Br)C1CCCN1C1CCNCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The InChIKey is XPBOBPRQHOEWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2OS/c16-12-5-9-20-15(12)10-14(19)13-2-1-8-18(13)11-3-6-17-7-4-11/h5,9,11,13,17H,1-4,6-8,10H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone has a molecular weight of 357.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116559759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).