5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide

C12H17BrN2OS — CID 114021534

IUPAC5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
SMILESCN(CC1CCCNC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C12H17BrN2OS/c1-15(7-9-3-2-4-14-6-9)12(16)10-5-11(13)17-8-10/h5,8-9,14H,2-4,6-7H2,1H3
InChIKeyCCCPKLCLCJYLTQ-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.58
Rot. Bonds3

About 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide

5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide (PubChem CID 114021534) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
PubChem CID114021534
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
SMILESCN(CC1CCCNC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C12H17BrN2OS/c1-15(7-9-3-2-4-14-6-9)12(16)10-5-11(13)17-8-10/h5,8-9,14H,2-4,6-7H2,1H3
InChIKeyCCCPKLCLCJYLTQ-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
CID 62861189
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
CID 63707382
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
CID 106627674
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081
3-chloro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627859
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
CID 63866512
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide (CID 114021534) is 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide is CN(CC1CCCNC1)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
The InChIKey is CCCPKLCLCJYLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-15(7-9-3-2-4-14-6-9)12(16)10-5-11(13)17-8-10/h5,8-9,14H,2-4,6-7H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 114021534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).