5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide

C12H17BrN2OS — CID 113412084

IUPAC5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
SMILESCC1(CNC(=O)c2csc(Br)c2)CCCNC1
InChIInChI=1S/C12H17BrN2OS/c1-12(3-2-4-14-7-12)8-15-11(16)9-5-10(13)17-6-9/h5-6,14H,2-4,7-8H2,1H3,(H,15,16)
InChIKeySNQWBHDLSIRPOE-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.63
Rot. Bonds3

About 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide

5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 113412084) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
PubChem CID113412084
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
SMILESCC1(CNC(=O)c2csc(Br)c2)CCCNC1
InChIInChI=1S/C12H17BrN2OS/c1-12(3-2-4-14-7-12)8-15-11(16)9-5-10(13)17-6-9/h5-6,14H,2-4,7-8H2,1H3,(H,15,16)
InChIKeySNQWBHDLSIRPOE-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide
CID 103737497
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 113400479
N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
CID 104671755
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048
2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 113400474
N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040294
N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 63823232
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 113400462
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654302
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide (CID 113412084) is 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide is CC1(CNC(=O)c2csc(Br)c2)CCCNC1.
What is the InChIKey of 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is SNQWBHDLSIRPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-12(3-2-4-14-7-12)8-15-11(16)9-5-10(13)17-6-9/h5-6,14H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 113412084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).