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

C12H17BrN2OS — CID 81139627

IUPAC(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H17BrN2OS/c1-15(7-9-5-11(13)17-8-9)12(16)10-3-2-4-14-6-10/h5,8,10,14H,2-4,6-7H2,1H3/t10-/m1/s1
InChIKeyVINBWPVRFFZAIC-SNVBAGLBSA-N
MW317.25 g/mol
LogP2.47
Rot. Bonds3

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

(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 81139627) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is (3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID81139627
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H17BrN2OS/c1-15(7-9-5-11(13)17-8-9)12(16)10-3-2-4-14-6-10/h5,8,10,14H,2-4,6-7H2,1H3/t10-/m1/s1
InChIKeyVINBWPVRFFZAIC-SNVBAGLBSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299696
(2S,4S)-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624705
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388637
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78970946
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
N-[(5-bromothiophen-3-yl)methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 54984169
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119731625
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
CID 54987021
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide
CID 103872749

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide (CID 81139627) is (3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide is CN(Cc1csc(Br)c1)C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is VINBWPVRFFZAIC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-15(7-9-5-11(13)17-8-9)12(16)10-3-2-4-14-6-10/h5,8,10,14H,2-4,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide?
(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 81139627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).