5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide

C17H19BrN2OS — CID 119442269

IUPAC5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(Br)cc2)s1)C1CCNCC1
InChIInChI=1S/C17H19BrN2OS/c1-20(14-8-10-19-11-9-14)17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12/h2-7,14,19H,8-11H2,1H3
InChIKeySQTSSZDGRDUUEC-UHFFFAOYSA-N
MW379.32 g/mol
LogP4.00
Rot. Bonds3

About 5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide

5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide (PubChem CID 119442269) has the molecular formula C17H19BrN2OS and a molecular weight of 379.32 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
PubChem CID119442269
Molecular FormulaC17H19BrN2OS
Molecular Weight379.32 g/mol
Exact Mass378.04
IUPAC Name5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(Br)cc2)s1)C1CCNCC1
InChIInChI=1S/C17H19BrN2OS/c1-20(14-8-10-19-11-9-14)17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12/h2-7,14,19H,8-11H2,1H3
InChIKeySQTSSZDGRDUUEC-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119551500
5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 43602032
N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride
CID 119441884
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104974562
N-(azepan-4-yl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 104974496
4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119444644
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119441510
2-bromo-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106855036
5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119825454

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide (CID 119442269) is 5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide is CN(C(=O)c1ccc(-c2ccc(Br)cc2)s1)C1CCNCC1.
What is the InChIKey of 5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
The InChIKey is SQTSSZDGRDUUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2OS/c1-20(14-8-10-19-11-9-14)17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12/h2-7,14,19H,8-11H2,1H3.
What are the key properties of 5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide has a molecular weight of 379.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 119442269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).