N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide

C11H15BrN2OS — CID 115160004

IUPACN-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCNCC1)c1cc(Br)cs1
InChIInChI=1S/C11H15BrN2OS/c1-14(10-6-9(12)7-16-10)11(15)8-2-4-13-5-3-8/h6-8,13H,2-5H2,1H3
InChIKeyMMVKJXOVSBIIGF-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.47
Rot. Bonds2

About N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide

N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 115160004) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide
PubChem CID115160004
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC NameN-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCNCC1)c1cc(Br)cs1
InChIInChI=1S/C11H15BrN2OS/c1-14(10-6-9(12)7-16-10)11(15)8-2-4-13-5-3-8/h6-8,13H,2-5H2,1H3
InChIKeyMMVKJXOVSBIIGF-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide
CID 115158767
N-(4-bromothiophen-2-yl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151175
4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
CID 115209892
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 62002271
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119731625
N-(4-hydroxyphenyl)-N-methylpiperidine-4-carboxamide
CID 107734326
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119300459
N-(4-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167064
4-[[(4-bromothiophen-2-yl)-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 115221905
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119731612
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 140562387

Frequently Asked Questions

What is the IUPAC name of N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide (CID 115160004) is N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide is CN(C(=O)C1CCNCC1)c1cc(Br)cs1.
What is the InChIKey of N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is MMVKJXOVSBIIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-14(10-6-9(12)7-16-10)11(15)8-2-4-13-5-3-8/h6-8,13H,2-5H2,1H3.
What are the key properties of N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide?
N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 115160004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).