N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide

C13H17BrN2O2S — CID 79926806

IUPACN-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cc(C)c(Br)s2)C1
InChIInChI=1S/C13H17BrN2O2S/c1-8-6-11(19-12(8)14)13(18)16-5-3-4-10(7-16)15-9(2)17/h6,10H,3-5,7H2,1-2H3,(H,15,17)
InChIKeyQUILUUDYLYUQSK-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.56
Rot. Bonds2

About N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide

N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 79926806) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID79926806
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC NameN-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cc(C)c(Br)s2)C1
InChIInChI=1S/C13H17BrN2O2S/c1-8-6-11(19-12(8)14)13(18)16-5-3-4-10(7-16)15-9(2)17/h6,10H,3-5,7H2,1-2H3,(H,15,17)
InChIKeyQUILUUDYLYUQSK-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 79996780
1-[4-(5-bromo-4-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 79954864
(5-bromo-4-methylthiophen-2-yl)-(4-tert-butylazepan-1-yl)methanone
CID 79987284
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
CID 61109681
N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956161
N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
CID 96570730
N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
CID 96570731
methyl 4-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-1-carboxylate
CID 79964024
N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 61110247

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide (CID 79926806) is N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2cc(C)c(Br)s2)C1.
What is the InChIKey of N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is QUILUUDYLYUQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c1-8-6-11(19-12(8)14)13(18)16-5-3-4-10(7-16)15-9(2)17/h6,10H,3-5,7H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide?
N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 345.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 79926806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).