2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone

C15H17BrN2OS — CID 116564693

IUPAC2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cccn1C1CCNCC1
InChIInChI=1S/C15H17BrN2OS/c16-15-4-3-12(20-15)10-14(19)13-2-1-9-18(13)11-5-7-17-8-6-11/h1-4,9,11,17H,5-8,10H2
InChIKeyGTQMASSBISXGQP-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.66
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone

2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone (PubChem CID 116564693) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone
PubChem CID116564693
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cccn1C1CCNCC1
InChIInChI=1S/C15H17BrN2OS/c16-15-4-3-12(20-15)10-14(19)13-2-1-9-18(13)11-5-7-17-8-6-11/h1-4,9,11,17H,5-8,10H2
InChIKeyGTQMASSBISXGQP-UHFFFAOYSA-N
XLogP3.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone
CID 116564776
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114609252
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one
CID 116564797
1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 116564730
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
N-(2-ethylcyclopropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811287
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-(furan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716089
(3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564823

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone (CID 116564693) is 2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone is O=C(Cc1ccc(Br)s1)c1cccn1C1CCNCC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone?
The InChIKey is GTQMASSBISXGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c16-15-4-3-12(20-15)10-14(19)13-2-1-9-18(13)11-5-7-17-8-6-11/h1-4,9,11,17H,5-8,10H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone?
2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone has a molecular weight of 353.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone is sourced from PubChem (CID 116564693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).