N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide

C12H17BrN2OS — CID 78971404

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)N1CCCCC1
InChIInChI=1S/C12H17BrN2OS/c1-14(8-10-7-11(13)17-9-10)12(16)15-5-3-2-4-6-15/h7,9H,2-6,8H2,1H3
InChIKeyLHAQUSPHIFJHTM-UHFFFAOYSA-N
MW317.25 g/mol
LogP3.55
Rot. Bonds2

About N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide (PubChem CID 78971404) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide
PubChem CID78971404
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)N1CCCCC1
InChIInChI=1S/C12H17BrN2OS/c1-14(8-10-7-11(13)17-9-10)12(16)15-5-3-2-4-6-15/h7,9H,2-6,8H2,1H3
InChIKeyLHAQUSPHIFJHTM-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methylazepane-1-carboxamide
CID 79152022
1-[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54986829
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-oxo-2-piperazin-1-ylacetamide
CID 54987168
1-[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071488
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
3-[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781498
N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide
CID 79152363
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
4-[[azepane-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 61188179
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide (CID 78971404) is N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide is CN(Cc1csc(Br)c1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is LHAQUSPHIFJHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-14(8-10-7-11(13)17-9-10)12(16)15-5-3-2-4-6-15/h7,9H,2-6,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 78971404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).