N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide

C13H19BrN2O2S — CID 119688975

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
SMILESCOC1(C(=O)N(C)Cc2ccc(Br)s2)CCNCC1
InChIInChI=1S/C13H19BrN2O2S/c1-16(9-10-3-4-11(14)19-10)12(17)13(18-2)5-7-15-8-6-13/h3-4,15H,5-9H2,1-2H3
InChIKeyUQCRDIPLCMMLQL-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.24
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide (PubChem CID 119688975) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
PubChem CID119688975
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
SMILESCOC1(C(=O)N(C)Cc2ccc(Br)s2)CCNCC1
InChIInChI=1S/C13H19BrN2O2S/c1-16(9-10-3-4-11(14)19-10)12(17)13(18-2)5-7-15-8-6-13/h3-4,15H,5-9H2,1-2H3
InChIKeyUQCRDIPLCMMLQL-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119859315
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119688940
N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119730034
N-[(4-ethylphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119681307
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119699598
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 119681705
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
CID 115158927
N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119730855
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119705016
4-methoxy-N,N-dimethylpiperidine-4-carboxamide
CID 84660627
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119684871

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide (CID 119688975) is N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide is COC1(C(=O)N(C)Cc2ccc(Br)s2)CCNCC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide?
The InChIKey is UQCRDIPLCMMLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-16(9-10-3-4-11(14)19-10)12(17)13(18-2)5-7-15-8-6-13/h3-4,15H,5-9H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide has a molecular weight of 347.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 119688975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).