N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide

C11H15BrN2OS — CID 115159883

IUPACN-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCNC1)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-14(10-5-4-9(12)16-10)11(15)8-3-2-6-13-7-8/h4-5,8,13H,2-3,6-7H2,1H3
InChIKeyAOUXOGPUKXDFLV-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.47
Rot. Bonds2

About N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide

N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 115159883) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide
PubChem CID115159883
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC NameN-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCNC1)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-14(10-5-4-9(12)16-10)11(15)8-3-2-6-13-7-8/h4-5,8,13H,2-3,6-7H2,1H3
InChIKeyAOUXOGPUKXDFLV-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-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463
N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 91609234
N-methyl-N-(1H-pyrrol-2-yl)piperidine-3-carboxamide
CID 115159891
N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide
CID 115159892
(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 81139627
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299696
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889
N-methyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 115159907
N-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 115159880
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide (CID 115159883) is N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide is CN(C(=O)C1CCCNC1)c1ccc(Br)s1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is AOUXOGPUKXDFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-14(10-5-4-9(12)16-10)11(15)8-3-2-6-13-7-8/h4-5,8,13H,2-3,6-7H2,1H3.
What are the key properties of N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide?
N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-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-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 115159883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).